TPCN03568

Name 3-O-{[beta-D-glucopyranosyl (1-->2)]-[beta-d-glucopyranosyl (1-->3)-beta-d-glucopyranosyl (1-->3)]-beta-D-glucopyranosyl} oleanolic acid 28-O-beta-D-glucopyranosyl ester
Molecular Formula C60H98O28
Molecular Weight 1267.42
CAS Registry Number 344911-90-6
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)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapotaceae Madhuca longifolia Seeds 0.002500% J Nat Prod, 2000, 63, 1679-1681. 10.1021/np000351r
Properties
HBA 28 HBD 17
HeavyAtoms 88 AlogP -4.21
TPSA 453.28 RotatableBonds 15
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10