TPCN03590

Name Turrapubins J
Molecular Formula C36H46O16
Molecular Weight 734.75
CAS Registry Number 1438243-79-8
SMILES CC=C(C)C(=O)OC1CC(OC(=O)CC)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C1(C)C3OC2(C)C3CC(OC4OC=CC43O)C21O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Turraea pubescens Stems 0.002083% J Nat Prod 76, 1166-1174 (2013). 10.1021/np400276q
Properties
HBA 16 HBD 3
HeavyAtoms 52 AlogP 0.19
TPSA 212.04 RotatableBonds 6
FractionCSP3 0.78 Rings 8
AromaticRings 0 AliphaticRings 8