TPCN03543

Name Rosamultin;Rosamutin
Molecular Formula C36H58O10
Molecular Weight 650.85
CAS Registry Number 88515-58-6
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Biebersteiniaceae Aesculus pavia Fruits 0.002857% Phytochemistry 67, 784-794 (2006). 10.1016/j.phytochem.2006.01.017
Rosaceae Rubus ellipticus Roots 0.001433% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Combretaceae Combretum quadrangulare Seeds 0.000267% Chem Pharm Bull (Tokyo) 48, 1114-1120 (2000) 10.1248/cpb.48.1114
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 2.43
TPSA 177.14 RotatableBonds 3
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6