Glycoside
GD093629
Name:
NoneFormula:
C16H16O7N5Cl3Smiles:
Nc1nc2c(ncn2[C@@H]2O[C@@H](C(Cl)(Cl)Cl)O[C@H]2[C@H](O)[C@H](O)[C@H](O)CO)c(=O)[nH]1Aglycone:
Nc1nc2c(ncn2C2COC(C(Cl)(Cl)Cl)O2)c(=O)[nH]1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.66 | Num_heavy_atoms: | 28 |
| TPSA: | 188.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD40434
Formula: C12H8O3N5Cl3
Smiles:
Nc1nc2c(ncn2C2COC(C(Cl)(Cl)Cl)O2)c(=O)[nH]1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 340.55 | Num_heavy_atoms: | 20 |
| TPSA: | 108.05 | NumAromaticRings: | 2 |
