Glycoside
GD098762
Name:
NoneFormula:
C13H15O6N4ISmiles:
COC(=O)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.19 | Num_heavy_atoms: | 24 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD42014
Formula: C8H6O2N4I
Smiles:
COC(=O)Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 317.07 | Num_heavy_atoms: | 15 |
| TPSA: | 78.21 | NumAromaticRings: | 1 |
