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