TPCN04039
Name | Cincholic acid 3??-O-??-D-glucopyranosyl-(1??4)-??-D-fucopyranoside;3-O-beta-glucopyranosyl-(1-->4)-beta-fucopyranosylcincholic acid |
Molecular Formula | C42H66O14 |
Molecular Weight | 794.98 |
CAS Registry Number | 833486-54-7 |
SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C(=O)O)C2(C)C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Rubiaceae | Uncaria tomentosa | Stems | 0.003449% | Chem Pharm Bull (Tokyo) . 2004 Oct;52(10):1258-61 | 10.1248/cpb.52.1258 |
Ranunculaceae | Souliea vaginata | Whole plants | 0.000122% | Chem Pharm Bull (Tokyo) 52, 622-624 (2004). | 10.1248/cpb.52.622 |
Properties
HBA | 14 | HBD | 8 |
HeavyAtoms | 56 | AlogP | 2.97 |
TPSA | 232.90 | RotatableBonds | 7 |
FractionCSP3 | 0.90 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |