Glycoside
GD077855
Name:
NoneFormula:
C16H17O4N5Cl2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@@H]4CC4(Cl)Cl)ncnc32)[C@H](O)[C@@H]1OAglycone:
ClC1(Cl)CC1CNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.23 | Num_heavy_atoms: | 25 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD35663
Formula: C11H8N5Cl2
Smiles:
ClC1(Cl)CC1CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 257.1 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
