Glycoside
GD150200
Name:
Ochratoxin A1Formula:
C25H26O9NClSmiles:
CC1Cc2c(Cl)cc(C(O)=NC(Cc3ccccc3)C(=O)OCC(O)C(O)CO)c(O)c2C(=O)O1Aglycone:
CC1Cc2c(Cl)cc(C(O)=NC(C=O)Cc3ccccc3)c(O)c2C(=O)O1Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 507.92 | Num_heavy_atoms: | 35 |
| TPSA: | 166.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD60014
Formula: C21H18O5NCl
Smiles:
CC1Cc2c(Cl)cc(C(O)=NC(C=O)Cc3ccccc3)c(O)c2C(=O)O1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.82 | Num_heavy_atoms: | 27 |
| TPSA: | 96.19 | NumAromaticRings: | 2 |
