TPCN04873

Name Cyclacoumin
Molecular Formula C52H84O23
Molecular Weight 1077.22
CAS Registry Number 186648-68-0
SMILES CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Cyclamen mirabile Subterraneous stems 0.015667% J Nat Prod 60, 315-318 (1997) 10.1021/np960658j
Primulaceae Cyclamen coum Subterraneous stems 0.010600% Planta Med 63, 166-170 (1997) 10.1055/s-2006-957637
Properties
HBA 23 HBD 13
HeavyAtoms 75 AlogP -2.92
TPSA 363.13 RotatableBonds 12
FractionCSP3 0.98 Rings 10
AromaticRings 0 AliphaticRings 10