TPCN04035
Name | 3-O-[beta-D-glucopyranosyl (1-->2)]-[beta-D-glucopyranosyl (1-->3)]-beta-d-glucopyranosyl caulophyllogenin |
Molecular Formula | C48H78O20 |
Molecular Weight | 975.13 |
CAS Registry Number | 1422176-49-5 |
SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Araliaceae | Aralia elata | Leaves | 0.000125% | Fitoterapia 83, 806-811 (2012). | 10.1016/j.fitote.2012.03.015 |
Properties
HBA | 20 | HBD | 13 |
HeavyAtoms | 68 | AlogP | -1.35 |
TPSA | 335.44 | RotatableBonds | 11 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |