TPCN06096
Name | 3-O-{[??-D-glucopyranosyl-(1??6)]-O-??-L-rhamnopyranosyl-(1??2)-O-??-D-glucopyranosyl-(1??2)}-O-??-D-glucopyranosyl-(1??3)-O-??-D-glucopyranosyl-cycloarta-22,24-dien-27-oic acid |
Molecular Formula | C60H96O27 |
Molecular Weight | 1249.40 |
CAS Registry Number | 248912-10-9 |
SMILES | CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C)C(=O)O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Rubiaceae | Mussaenda macrophylla | Aerial parts | 0.000925% | J Nat Prod . 1999 Oct;62(10):1379-84 | 10.1021/np9901579 |
Properties
HBA | 27 | HBD | 16 |
HeavyAtoms | 87 | AlogP | -2.84 |
TPSA | 433.05 | RotatableBonds | 18 |
FractionCSP3 | 0.92 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |