Glycoside
GD095408
Name:
NoneFormula:
C13H19O6N5SISmiles:
[NH3+]CCS(=O)(=O)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
[NH3+]CCS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.3 | Num_heavy_atoms: | 26 |
| TPSA: | 174.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD40729
Formula: C8H10O2N5SI
Smiles:
[NH3+]CCS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.17 | Num_heavy_atoms: | 17 |
| TPSA: | 113.69 | NumAromaticRings: | 1 |
