TPCN03760

Name Aesculiosides G10
Molecular Formula C57H88O22
Molecular Weight 1125.31
CAS Registry Number 1361004-72-9
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)O)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 0.000800% Phytochemistry 75, 67-77 (2012). 10.1016/j.phytochem.2011.11.012
Properties
HBA 22 HBD 11
HeavyAtoms 79 AlogP 1.29
TPSA 347.58 RotatableBonds 14
FractionCSP3 0.84 Rings 8
AromaticRings 0 AliphaticRings 8