TPCN03592
Name | 3alpha,23-dihydroxy-lup-20(29)-en-28-oic acid 28-O-alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopy ranosyl ester |
Molecular Formula | C48H78O17 |
Molecular Weight | 927.14 |
CAS Registry Number | 136182-02-0 |
SMILES | C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapindaceae | Aesculus glabra | Seeds | 0.002000% | Phytochemistry 75, 67-77 (2012). | 10.1016/j.phytochem.2011.11.012 |
Properties
HBA | 17 | HBD | 10 |
HeavyAtoms | 65 | AlogP | 1.02 |
TPSA | 274.75 | RotatableBonds | 9 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |