Glycoside
GD017439
Name:
NoneFormula:
C25H23O8N9SSmiles:
Nc1nc(-n2cc(-c3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.Nc1nc(-n2cc(-c3ccccc3)nn2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 609.58 | Num_heavy_atoms: | 43 |
| TPSA: | 242.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
AD12439
Formula: C13H9N8
Smiles:
Nc1nc(-n2cc(-c3ccccc3)nn2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 277.27 | Num_heavy_atoms: | 21 |
| TPSA: | 108.97 | NumAromaticRings: | 3 |
