TPCN04544
Name | 3-O-??-D-Glucopyranosyl-(1??3)-??-D-glucopyranosyl-(1??3)-??-Dglucopyranosyloleanolic acid 28-O-??-D-glucopyranoside |
Molecular Formula | C54H88O23 |
Molecular Weight | 1105.28 |
CAS Registry Number | 1588875-39-1 |
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)C6O)C(C)(C)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Araliaceae | Aralia elata | Leaves | 0.000300% | J Asian Nat Prod Res 15(8): 849-854. | 10.1080/10286020.2013.805207 |
Properties
HBA | 23 | HBD | 14 |
HeavyAtoms | 77 | AlogP | -2.04 |
TPSA | 374.13 | RotatableBonds | 12 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |