TPCN02812

Name 7beta,4'-dihydroxyanopterine
Molecular Formula C31H43NO9
Molecular Weight 573.68
CAS Registry Number 60755-57-9
SMILES C=C1CC23C(O)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 Woods 0.000246% J Nat Prod 78, 2908-2916 (2015). 10.1021/acs.jnatprod.5b00509
Properties
HBA 10 HBD 5
HeavyAtoms 41 AlogP 0.46
TPSA 156.99 RotatableBonds 5
FractionCSP3 0.74 Rings 6
AromaticRings 0 AliphaticRings 6