Glycoside
GD035709
Name:
NoneFormula:
C19H19O6N2ClSmiles:
O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O)c1ccoc1Aglycone:
CNC(=O)c1ccccc1Cl.CNC(=O)c1ccoc1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.81 | Num_heavy_atoms: | 27 |
| TPSA: | 121.03 | 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 |
AD22582
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccoc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | NumAromaticRings: | 1 |
