TPCN05780
Name | 3-O-R-L-rhamnopyranosyl-(1f6)-[(3-O-isoferuloyl)-a-D-glucopyranosyl]-(1f4)-a-D-glucopyranosyl-(1f4)-a-D-ribopyranosyl-(1f3)-R-L-rhamnopyranosyl-(1f2)-R-L_x0002_arabinopyranosyloleanolic acid 28-O-R-L-rhamnopyranosyl-(1f4)-a-D-glucopyranosyl-(1f6)-a-D-glucopyranoside |
Molecular Formula | C92H142O46 |
Molecular Weight | 1984.10 |
CAS Registry Number | 916649-90-6 |
SMILES | COc1ccc(C=CC(=O)OC2C(O)C(COC3OC(C)C(O)C(O)C3O)OC(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)CCC%10(C(=O)OC%10OC(COC%11OC(CO)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C(O)C(O)C%10O)CCC89C)C7(C)C)OCC(O)C6O)C5O)C(O)C4O)C(O)C3O)C2O)cc1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis mandshurica | Roots | 0.000500% | J Nat Prod. 2006 Nov;69(11):1591-5. | 10.1021/np060287z. |
Properties
HBA | 46 | HBD | 24 |
HeavyAtoms | 138 | AlogP | -6.57 |
TPSA | 704.26 | RotatableBonds | 26 |
FractionCSP3 | 0.87 | Rings | 15 |
AromaticRings | 1 | AliphaticRings | 14 |