TPCN04840

Name Mirabilin
Molecular Formula C58H94O28
Molecular Weight 1239.36
CAS Registry Number 186648-83-9
SMILES CC1(C(=O)O)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Cyclamen mirabile Subterraneous stems 0.037333% J Nat Prod 60, 315-318 (1997) 10.1021/np960658j
Properties
HBA 28 HBD 17
HeavyAtoms 86 AlogP -4.42
TPSA 453.28 RotatableBonds 15
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10