TPCN04102

Name Ziyuglycoside I;Zigu-glucoside I
Molecular Formula C41H66O13
Molecular Weight 766.97
CAS Registry Number 35286-58-9
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.000833% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Ranunculaceae Cimicifuga foetida Roots 0.000067% J Nat Prod 64, 627-629 (2001). 10.1021/np000483k
Properties
HBA 13 HBD 8
HeavyAtoms 54 AlogP 1.93
TPSA 215.83 RotatableBonds 5
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7