Elatoside J
Basic information
- CAS
171828-79-8- Standard SMILES
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1- InChIKey
IIJRVKCBZJDXQK-UHFFFAOYSA-N- Molecular formula
- C48H78O19
- Average molar mass
- 959.1 g/mol
- Monoisotopic mass
- 958.51373025
Names & identifiers
- Preferred name
- Elatoside J
- IUPAC
- 10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Names & synonyms
Elatoside J10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidCongmuyenosides ADTXSID709380483-{[Hexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranosyl]oxy}-23-hydroxyolean-12-en-28-oato(4-)3-{[Hexopyranosyl-(1->2)-[hexopyranosyl-(1->3)]hexopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acidOlean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
Database identifiers
- CAS
171828-79-8- PubChem CID
- 177239
- DTXSID
DTXSID70938048
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 11
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 1,820
Experimental & physicochemical properties
Melting Point262 - 264 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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