Glycoside
GD033106
Name:
NoneFormula:
C23H21O6N2ClSmiles:
O=C(NCc1ccc(Cl)cc1)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ccccc2c1=OAglycone:
O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccccc2c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.87 | Num_heavy_atoms: | 31 |
| TPSA: | 121.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD21156
Formula: C18H13O2N2Cl
Smiles:
O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccccc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.76 | Num_heavy_atoms: | 22 |
| TPSA: | 61.96 | NumAromaticRings: | 3 |
