Glycoside
GD029104
Name:
NoneFormula:
C16H22O9N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](O)[C@H](O)C2CC2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(O)C(O)C1CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.45 | Num_heavy_atoms: | 32 |
| TPSA: | 232.24 | 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 |
AD15872
Formula: C7H13O6NS
Smiles:
COS(=O)(=O)NC(=O)C(O)C(O)C1CC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 239.25 | Num_heavy_atoms: | 15 |
| TPSA: | 112.93 | NumAromaticRings: | 0 |
