Glycoside
GD007124
Name:
NoneFormula:
C18H19O8N6SSmiles:
CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1N=C[N]2.COS(=O)(=O)[N-]C(=O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.45 | Num_heavy_atoms: | 33 |
| TPSA: | 200.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD01994
Formula: C8H8O5NS
Smiles:
COS(=O)(=O)[N-]C(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.22 | Num_heavy_atoms: | 15 |
| TPSA: | 94.77 | NumAromaticRings: | 1 |
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
