Glycoside
GD030284
Name:
NoneFormula:
C17H15O6N7SSmiles:
N#Cc1ccccc1S(=O)(=O)NC(=O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
N#Cc1ccccc1S(=O)(=O)NC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.42 | Num_heavy_atoms: | 31 |
| TPSA: | 206.34 | 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 |
AD19602
Formula: C8H6O3N2S
Smiles:
N#Cc1ccccc1S(=O)(=O)NC=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.21 | Num_heavy_atoms: | 14 |
| TPSA: | 87.03 | NumAromaticRings: | 1 |
