Lucyoside I

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Basic information

CAS: 99543-11-0
Standard SMILES: CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(CO)C5CC[C@]43C)[C@H]2C1
InChIKey: ZOUJKJNUAOXJGL-ZHYZEVDTSA-N
Molecular formula: C36H58O10
Average molar mass: 650.8 g/mol
Monoisotopic mass: 650.40299804

Names & identifiers

Preferred name: Lucyoside I
IUPAC: (4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Names & synonyms

Lucyoside I99543-11-0DTXSID609126303-O-beta-Glucopyranosyl arjunolic acid3-(Hexopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid(5xi)-3beta-(beta-D-Glucopyranosyloxy)-2alpha,23-dihydroxy-18alpha-olean-12-en-28-oic acid

Database identifiers

CAS: 99543-11-0
PubChem CID: 188587
DTXSID: DTXSID60912630

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 177 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 10
Rotatable bonds: 5
Heavy atoms: 46
Formal charge: 0
Complexity: 1,240

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Compound notes

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