Mogroside V - Analytical standard, Moligand™, ≥98% , CAS No.88901-36-4

CAS: 88901-36-4 Cat. No.: M102696 분자식: C₆₀H₁₀₂O₂₉ 분자량: 1287.43 EC 번호: 695-005-3

GRADE & PURITY Analytical standard, Moligand™, ≥98%

Synonyms

Q-100878 | SCHEMBL4572693

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

Q-100878 | SCHEMBL4572693

사양 및 순도

Analytical standard, Moligand™, ≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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등급

Moligand™, 분석 표준물질

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528774666
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528774666
• 정식 스마일: CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)O)C)C
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: GHBNZZJYBXQAHG-KUVSNLSMSA-N
• INCHI: 1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1
• 이성체 SMILES: C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)O)C)C
• 분자량: 1287.43
• Reaxy-Rn: 40669770
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40669770&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Steroids and steroid derivatives
      • Subclass Steroidal glycosides
        • Level5 Steroidal saponins
          • Level6 Cucurbitacin glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Steroidal saponins
• Direct Parent: Cucurbitacin glycosides
• Alternative Parents: Triterpenoids Cucurbitacins Oligosaccharides 11-alpha-hydroxysteroids 14-alpha-methylsteroids Delta-5-steroids Alkyl glycosides O-glycosyl compounds Oxanes Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cucurbitacin glycoside skeleton - Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - Oligosaccharide - 14-alpha-methylsteroid - Hydroxysteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Delta-5-steroid - Fatty acyl glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - Oxane - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Primary alcohol - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 1287.400 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 20
• Exact Mass: 1286.65 Da
• Monoisotopic Mass: 1286.65 Da
• Topological Polar Surface Area: 477.000 Ų
• Heavy Atom Count: 89
• Formal Charge: 0
• Complexity: 2360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 35
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Jinzhe Li, Yuxuan Huang, Xinhui Peng, Wenwen Luo, Munkh-Amgalan Gantumur, Zhanmei Jiang, Juncai Hou.  (2023)  Physical treatment synergized with natural surfactant for improving gas–water interfacial behavior and foam characteristics of α-lactalbumin.  ULTRASONICS SONOCHEMISTRY,      [PMID:36965313] [10.1016/j.ultsonch.2023.106369]

2. Jinzhe Li, Yuxuan Huang, Wenjuan Zhang, Akhunzada Bilawal, Narantuya Sukhbaatar, Batsukh Tsembeltsogt, Zhanmei Jiang, Zhishen Mu.  (2022)  Insight into binding mechanism between three whey proteins and mogroside V by multi-spectroscopic and silico methods: Impacts on structure and foaming properties.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2022.108207]

3. Jinzhe Li, QiuWan Jiang, Ruyi Zhang, Shiyi Guo, Zhanmei Jiang, Juncai Hou.  (2024)  Insight into the mechanism of synergy of ultrasound and high pressure homogenization on the emulsion stability and interfacial behaviors of α-lactalbumin with mogroside V.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.104130]