TPCN04958
Name | 3-O-b-D-glucopyranosyl-(1 ??2)-glucopyranosyl-22-O-b-D-glucopyranosylsteganogenin |
Molecular Formula | C48H78O19 |
Molecular Weight | 959.13 |
CAS Registry Number | 1643982-91-5 |
SMILES | CC(C)(CCOC1OC(CO)C(O)C(O)C1O)CC1C(C(=O)O)=CCC2(C)C1=CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Apiaceae | Eryngium kotschyi | Roots | 0.003500% | Phytochemistry 110, 160-165 (2015) | 10.1016/j.phytochem.2014.11.017 |
Properties
HBA | 19 | HBD | 12 |
HeavyAtoms | 67 | AlogP | -0.16 |
TPSA | 315.21 | RotatableBonds | 14 |
FractionCSP3 | 0.90 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |