Glycoside
GD035600
Name:
NoneFormula:
C12H13O5N4ClSmiles:
OC[C@H](O)[C@@H]1O[C@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ncnc2c1N=C[N]2Sugarmoiety:
OCC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.7 | Num_heavy_atoms: | 21 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD05203
Formula: C6H2N4Cl
Smiles:
Clc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 153.55 | Num_heavy_atoms: | 10 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
