TPCN03992

Name Symplocososides Y
Molecular Formula C63H92O24
Molecular Weight 1233.41
CAS Registry Number 912271-94-4
SMILES CCC(C)C(=O)OC1C(OC(=O)C=Cc2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(OC(C)=O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Symplocaceae Symplocos chinensis Roots 0.000186% J Asian Nat Prod Res 7, 791-797 (2005). 10.1080/10286020310001653282
Properties
HBA 24 HBD 11
HeavyAtoms 87 AlogP 1.66
TPSA 373.88 RotatableBonds 17
FractionCSP3 0.78 Rings 9
AromaticRings 1 AliphaticRings 8