Glycoside
GD007817
Name:
NoneFormula:
C19H28O10N8S2Smiles:
CSCC[C@H](N)C(=O)N[C@H](CC(=O)O)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(CC(=O)O)NC(=O)C(N)CCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 13 |
| MolWt: | 592.61 | Num_heavy_atoms: | 39 |
| TPSA: | 284.2 | 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 |
AD06327
Formula: C10H19O7N3S2
Smiles:
COS(=O)(=O)NC(=O)C(CC(=O)O)NC(=O)C(N)CCSC| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 357.41 | Num_heavy_atoms: | 22 |
| TPSA: | 164.89 | NumAromaticRings: | 0 |
