TPCN03925

Name Aesculiosides G11
Molecular Formula C58H90O22
Molecular Weight 1139.34
CAS Registry Number 1361004-73-0
SMILES CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)OC)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Aesculus glabra Seeds 0.000300% Phytochemistry 75, 67-77 (2012). 10.1016/j.phytochem.2011.11.012
Properties
HBA 22 HBD 10
HeavyAtoms 80 AlogP 1.38
TPSA 336.58 RotatableBonds 14
FractionCSP3 0.84 Rings 8
AromaticRings 0 AliphaticRings 8