Compound Information | SONAR Target prediction |
Name: | BACCATIN III |
Unique Identifier: | SPE01505034 |
MolClass: | Checkout models in ver1.5 and ver1.0 |
Molecular Formula: | C31H38O11 |
Molecular Weight: | 548.325 g/mol |
X log p: | (online calculus) |
Lipinksi Failures | |
TPSA | |
Hydrogen Bond Donor Count: | |
Hydrogen Bond Acceptors Count: | |
Rotatable Bond Count: | |
Canonical Smiles: | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C( C)=C1C2(C)C |
Class: | diterpene |
Source: | Taxus baccata |
Reference: | J Org Chem 51:3239 (1986) |