Glycoside
GD031226
Name:
NoneFormula:
C11H13O4N4ISmiles:
Nc1nc2c([C@@H]3O[C@H](CI)[C@H](O)[C@H]3O)c[nH]c2c(=O)[nH]1Aglycone:
Nc1nc2cc[nH]c2c(=O)[nH]1Sugarmoiety:
OC1OC(CI)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 392.15 | Num_heavy_atoms: | 20 |
| TPSA: | 137.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD20132
Formula: C6H6ON4
Smiles:
Nc1nc2cc[nH]c2c(=O)[nH]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.14 | Num_heavy_atoms: | 11 |
| TPSA: | 87.56 | NumAromaticRings: | 2 |
