TPCN05510

Name Symplocososides P
Molecular Formula C61H90O24
Molecular Weight 1207.37
CAS Registry Number 918300-73-9
SMILES CCC(C)C(=O)OC1C(OC(=O)c2ccccc2)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 0.000345% J Nat Prod. 2006. 69, 1680-1686. 10.1021/np060160+.
Properties
HBA 24 HBD 11
HeavyAtoms 85 AlogP 1.26
TPSA 373.88 RotatableBonds 16
FractionCSP3 0.80 Rings 9
AromaticRings 1 AliphaticRings 8