TPCN03607
Name | 3-beta-O-[alpha-L-rhamnopyranosyl(1-->4)O-beta-D-glucopyranosyl]16-alpha-hydroxy- olean-12-en(13)-28-oic acid |
Molecular Formula | C42H68O13 |
Molecular Weight | 780.99 |
CAS Registry Number | 404849-80-5 |
SMILES | CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)C(O)CC45C)C3(C)C)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Acanthaceae | Lepidagathis incurva | Leaves | 0.001875% | Nat Prod Lett, 2001, 15, 315-322. | 10.1080/10575630108041298 |
Properties
HBA | 13 | HBD | 8 |
HeavyAtoms | 55 | AlogP | 2.88 |
TPSA | 215.83 | RotatableBonds | 6 |
FractionCSP3 | 0.93 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |