Glycoside
GD025746
Name:
NoneFormula:
C17H26O9N6SSmiles:
CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](O)[C@H](O)C(C)C)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1N=C[N]2.COS(=O)(=O)NC(=O)C(O)C(O)C(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 490.5 | Num_heavy_atoms: | 33 |
| TPSA: | 218.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD14024
Formula: C7H15O6NS
Smiles:
COS(=O)(=O)NC(=O)C(O)C(O)C(C)C| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 241.27 | Num_heavy_atoms: | 15 |
| TPSA: | 112.93 | NumAromaticRings: | 0 |
