TPCN03641

Name Dotorioside II;Niga-ichigoside F1
Molecular Formula C36H58O11
Molecular Weight 666.85
CAS Registry Number 95262-48-9
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.034333% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Araliaceae Panax ginseng Buds 0.001450% Chem Pharm Bull (Tokyo), 2007, 55, 1034-1038. 10.1248/cpb.55.1034
Rosaceae Rubus crataegifolius Roots 0.001056% Arch Pharm Res . 2001 Oct;24(5):412-5 10.1007/BF02975185
Properties
HBA 11 HBD 8
HeavyAtoms 47 AlogP 1.41
TPSA 197.37 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6