TPCN04060

Name Cimiaceroside B
Molecular Formula C35H56O9
Molecular Weight 620.82
CAS Registry Number 210643-84-8
SMILES CC1C2OC(C)(C)C(O)C2(O)OC2CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C21
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga heracleifolia Subterraneous stems 0.000340% Planta Med 78(12): 1391-1394. 10.1055/s-0032-1314980
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000184% Molecules. 2011 Jul 5;16(7):5701-8. 10.3390/molecules16075701.
Araliaceae Panax quinquefolium Roots 0.000100% Chem Pharm Bull (Tokyo), 1998, 46, 647-654. 10.1248/cpb.46.647
Properties
HBA 9 HBD 5
HeavyAtoms 44 AlogP 3.12
TPSA 138.07 RotatableBonds 2
FractionCSP3 1.00 Rings 8
AromaticRings 0 AliphaticRings 8