Glycoside
GD017681
Name:
NoneFormula:
C14H21O8N7SSmiles:
C[C@H](O)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)C(C)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.43 | Num_heavy_atoms: | 30 |
| TPSA: | 238.03 | NumAromaticRings: | 2 |
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 |
AD12598
Formula: C5H12O5N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)C(C)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 212.23 | Num_heavy_atoms: | 13 |
| TPSA: | 118.72 | NumAromaticRings: | 0 |
