Glycoside
GD033658
Name:
NoneFormula:
C11H13O5N4BrSmiles:
Nc1nc2c(c(Br)cn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)C(Br)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 361.15 | Num_heavy_atoms: | 21 |
| TPSA: | 146.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD21464
Formula: C6H4ON4Br
Smiles:
Nc1nc2c(c(=O)[nH]1)C(Br)=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 228.03 | Num_heavy_atoms: | 12 |
| TPSA: | 85.87 | NumAromaticRings: | 1 |
