TPCN04327
Name | Saponin 2;Saponin 1;27-hydroxyoleanolic acid 3-O-??-D-glucopyranosyl (1??2)-??-Larabinopyranoside |
Molecular Formula | C47H72O20 |
Molecular Weight | 957.07 |
CAS Registry Number | 97892-86-9 |
SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Silene vulgaris | Roots | 0.001650% | Fitoterapia 74(3): 237-241. | 10.1016/s0367-326x(03)00031-5 |
Ranunculaceae | Anemone raddeana | Subterraneous stems | 0.000825% | Nat Prod Commun. 2010. 5, 197-200. | None |
Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000500% | Chem Pharm Bull (Tokyo) 54(8): 1200-1202. | 10.1248/cpb.54.1200 |
Properties
HBA | 20 | HBD | 11 |
HeavyAtoms | 67 | AlogP | -0.41 |
TPSA | 329.12 | RotatableBonds | 10 |
FractionCSP3 | 0.89 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |