TPCN03591

Name Aesculiosides C15
Molecular Formula C54H86O19
Molecular Weight 1039.26
CAS Registry Number 1439388-93-8
SMILES CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Biebersteiniaceae Aesculus californica Husks 0.002034% Phytochemistry 90, 95-105 (2013). 10.1016/j.phytochem.2013.02.003
Properties
HBA 19 HBD 9
HeavyAtoms 73 AlogP 2.31
TPSA 290.05 RotatableBonds 11
FractionCSP3 0.89 Rings 8
AromaticRings 0 AliphaticRings 8