Glycoside
GD034595
Name:
NoneFormula:
C20H23O8N5PClSSmiles:
C[C@H](Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CP(=O)(O)O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
CC(Nc1nc(Cl)nc2c1N=C[N]2)c1ccccc1.CS(=O)(=O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 547.91 | Num_heavy_atoms: | 35 |
| TPSA: | 196.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD16695
Formula: C14H11N5Cl
Smiles:
CC(Nc1nc(Cl)nc2c1N=C[N]2)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.72 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD19804
Formula: C2H7O5PS
Smiles:
CS(=O)(=O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.11 | Num_heavy_atoms: | 9 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
