TPCN03708
Name | 3-O-[beta-D-glucopyranosyl (1-->3)-beta-D-glucopyranosyl (1-->3)]-[beta-D-glucopyranosyl (1-->2)]-beta-d-glucopyranosyl hederagenin 28-O-beta-D-glucopyranoside |
Molecular Formula | C60H98O29 |
Molecular Weight | 1283.42 |
CAS Registry Number | 1422176-48-4 |
SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)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 | 0.001063% | Fitoterapia 83, 806-811 (2012). | 10.1016/j.fitote.2012.03.015 |
Properties
HBA | 29 | HBD | 18 |
HeavyAtoms | 89 | AlogP | -5.24 |
TPSA | 473.51 | RotatableBonds | 16 |
FractionCSP3 | 0.95 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |