TPCN02364

Name 4'-hydroxy-6alpha-acetoxyanopterine
Molecular Formula C33H45NO9
Molecular Weight 599.72
CAS Registry Number 1829567-12-5
SMILES C=C1CC23CC(OC(C)=O)C4(O)C5(C)CC(O)CC46C(C2C1C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CCO)C36)N(C)C5
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Escalloniaceae Anopterus macleayanus Leaves 0.002074% J Nat Prod 78, 2908-2916 (2015). 10.1021/acs.jnatprod.5b00509
Properties
HBA 10 HBD 3
HeavyAtoms 43 AlogP 2.06
TPSA 142.83 RotatableBonds 6
FractionCSP3 0.73 Rings 6
AromaticRings 0 AliphaticRings 6