Glycoside
GD099246
Name:
NoneFormula:
C14H17O6N4SISmiles:
C=CCS(=O)(=O)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
C=CCS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.28 | Num_heavy_atoms: | 26 |
| TPSA: | 146.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD42220
Formula: C9H8O2N4SI
Smiles:
C=CCS(=O)(=O)Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 363.16 | Num_heavy_atoms: | 17 |
| TPSA: | 86.05 | NumAromaticRings: | 1 |
