Glycoside
GD096195
Name:
NoneFormula:
C13H17O6N4SISmiles:
CCS(=O)(=O)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.27 | Num_heavy_atoms: | 25 |
| TPSA: | 146.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD40918
Formula: C8H8O2N4SI
Smiles:
CCS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 351.15 | Num_heavy_atoms: | 16 |
| TPSA: | 86.05 | NumAromaticRings: | 1 |
