Glycoside
GD034961
Name:
NoneFormula:
C13H18O8N7SISmiles:
Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](N)CO)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CO.Nc1nc(I)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 559.3 | Num_heavy_atoms: | 30 |
| TPSA: | 238.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD01497
Formula: C5H3N5I
Smiles:
Nc1nc(I)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD05797
Formula: C4H10O5N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CO| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.2 | Num_heavy_atoms: | 12 |
| TPSA: | 118.72 | NumAromaticRings: | 0 |
