TPCN04640
Name | 3-O-??-D-glucopyranosyl gypsogenic acid 28-O-[??-D-glucopyranosyl(1??3)][??-D-6-O-((3S)-hydroxyl-3-methylglutaryl)glucopyranosyl(1??6)]-??-D-glucopyranoside |
Molecular Formula | C60H94O29 |
Molecular Weight | 1279.38 |
CAS Registry Number | 1360803-03-7 |
SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Dianthus superbus | Aerial parts | 0.000160% | Chem Pharm Bull (Tokyo) 59(4): 518-521. | 10.1248/cpb.59.518 |
Properties
HBA | 29 | HBD | 16 |
HeavyAtoms | 89 | AlogP | -2.80 |
TPSA | 475.03 | RotatableBonds | 18 |
FractionCSP3 | 0.90 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |