Glycoside
GD101036
Name:
NoneFormula:
C21H21O7N6ClSmiles:
CCOC(=O)c1ccc(NC(=O)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCOC(=O)c1ccc(NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.88 | Num_heavy_atoms: | 34 |
| TPSA: | 180.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD42709
Formula: C16H12O3N6Cl
Smiles:
CCOC(=O)c1ccc(NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 359.75 | Num_heavy_atoms: | 25 |
| TPSA: | 119.67 | NumAromaticRings: | 2 |
