TPCN00201

Name Albiflorin R3
Molecular Formula C30H32O12
Molecular Weight 584.57
CAS Registry Number 1456598-70-1
SMILES CC12CC(O)C3CC1(OC1OC(COC(=O)c4ccccc4)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)C(=O)O2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.001367% J Asian Nat Prod Res, 2013, 15, 697-702. 10.1080/10286020.2013.794420
Properties
HBA 12 HBD 4
HeavyAtoms 42 AlogP 0.35
TPSA 178.28 RotatableBonds 8
FractionCSP3 0.50 Rings 7
AromaticRings 2 AliphaticRings 5