Glycoside
GD008834
Name:
NoneFormula:
C17H16O5N5ClSSmiles:
Nc1nc2c(nc(Sc3ccc(Cl)cc3)n2C2OC(CO)C(O)C2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(Sc1ccc(Cl)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 425.85 | Num_heavy_atoms: | 28 |
| TPSA: | 159.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD07003
Formula: C12H7ON5ClS
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(Sc1ccc(Cl)cc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.73 | Num_heavy_atoms: | 19 |
| TPSA: | 98.23 | NumAromaticRings: | 2 |
