TPCN00320

Name 4-O-ethylpaeoniflorin
Molecular Formula C25H32O11
Molecular Weight 508.52
CAS Registry Number 38043-85-5
SMILES CCOC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia delavayi Roots 0.000540% J Asian Nat Prod Res, 2002, 4, 135-140. 10.1080/10286020290027425
Properties
HBA 11 HBD 4
HeavyAtoms 36 AlogP -0.31
TPSA 153.37 RotatableBonds 8
FractionCSP3 0.72 Rings 8
AromaticRings 1 AliphaticRings 7