Glycoside
GD005292
Name:
NoneFormula:
C22H19O6N2ClSmiles:
O=C(NC[C@]1(O)CO[C@H](CN2C(=O)c3ccccc3C2=O)[C@H]1O)c1ccccc1ClAglycone:
CN1C(=O)c2ccccc2C1=O.CNC(=O)c1ccccc1ClSugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.84 | Num_heavy_atoms: | 30 |
| TPSA: | 116.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD01442
Formula: C9H8ONCl
Smiles:
CNC(=O)c1ccccc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.61 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD04519
Formula: C9H7O2N
Smiles:
CN1C(=O)c2ccccc2C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 37.38 | NumAromaticRings: | 1 |
