TPCN02036

Name Triptersinines L
Molecular Formula C32H41NO12
Molecular Weight 631.68
CAS Registry Number 1416246-62-2
SMILES CC=C(C)C(=O)OC1C(OC(C)=O)C2C(OC(=O)c3cccnc3)C3(OC2(C)C)C(C)(O)CCC(OC(C)=O)C13COC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium wilfordii Leaves 0.000012% J Nat Prod 76(1): 85-90.(2013) 10.1021/np300759u
Properties
HBA 13 HBD 1
HeavyAtoms 45 AlogP 2.62
TPSA 173.85 RotatableBonds 8
FractionCSP3 0.63 Rings 4
AromaticRings 1 AliphaticRings 3