Glycoside
GD018834
Name:
NoneFormula:
C17H19O8N7SSmiles:
Nc1ccc(C(=O)NS(=O)(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c(O)c1Aglycone:
COS(=O)(=O)NC(=O)c1ccc(N)cc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 481.45 | Num_heavy_atoms: | 33 |
| TPSA: | 238.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13215
Formula: C8H10O5N2S
Smiles:
COS(=O)(=O)NC(=O)c1ccc(N)cc1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.24 | Num_heavy_atoms: | 16 |
| TPSA: | 118.72 | NumAromaticRings: | 1 |
