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