Glycoside
GD102386
Name:
NoneFormula:
C21H22O6N5ClSmiles:
CCOC(=O)Cc1ccc(Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCOC(=O)Cc1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 463.88 | Num_heavy_atoms: | 32 |
| TPSA: | 151.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD43330
Formula: C16H13O2N5Cl
Smiles:
CCOC(=O)Cc1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.76 | Num_heavy_atoms: | 23 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
