Glycoside
GD029898
Name:
NoneFormula:
C24H23O5N4ClSSmiles:
Cn1nc(-c2nnc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)c2ccccc21Aglycone:
Cn1nc(-c2nnc(Cc3ccccc3Cl)s2)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 502.98 | Num_heavy_atoms: | 34 |
| TPSA: | 133.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD19395
Formula: C18H13N4ClS
Smiles:
Cn1nc(-c2nnc(Cc3ccccc3Cl)s2)c2ccccc21| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.84 | Num_heavy_atoms: | 23 |
| TPSA: | 43.6 | NumAromaticRings: | 4 |
