TPCN03727
Name | 3-O-??-D-ribopyranosyl-(1 ?? 3)-??-L-rhamnopyranosyl(1 ?? 2)-??-D-xylopyranosyl oleanolic acid |
Molecular Formula | C46H74O15 |
Molecular Weight | 867.08 |
CAS Registry Number | 96315-51-4 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Fabaceae | Cassia sophera | Seeds | 0.000980% | Nat Prod Res 21, 494-499 (2007). | 10.1080/14786410601130042 |
Properties
HBA | 15 | HBD | 8 |
HeavyAtoms | 61 | AlogP | 3.01 |
TPSA | 234.29 | RotatableBonds | 7 |
FractionCSP3 | 0.93 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |