TPCN02662

Name Bistinospinoside A
Molecular Formula C52H64O22
Molecular Weight 1041.06
CAS Registry Number 2131237-83-5
SMILES CC12CC(C3=CC4OC3C3C4C4OC(=O)C3(OC3OC(CO)C(O)C(O)C3O)C3(C)CCC5C(=O)OC(c6ccoc6)CC5(C)C43)OC(=O)C1CCC1(C)C2C2C=CC1(OC1OC(CO)C(O)C(O)C1O)C(=O)O2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Menispermaceae Tinospora sagittata Roots 0.000429% J Nat Prod 80, 2478-2483 (2017). 10.1021/acs.jnatprod.7b00324
Properties
HBA 22 HBD 8
HeavyAtoms 74 AlogP -0.85
TPSA 326.33 RotatableBonds 8
FractionCSP3 0.77 Rings 15
AromaticRings 1 AliphaticRings 14