Glycoside
GD020437
Name:
NoneFormula:
C11H13O6N4BrSmiles:
COc1nc2c(c(Br)nn2C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COc1nc2c(c(=O)[nH]1)C(Br)=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.15 | Num_heavy_atoms: | 22 |
| TPSA: | 142.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD14112
Formula: C6H4O2N4Br
Smiles:
COc1nc2c(c(=O)[nH]1)C(Br)=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.03 | Num_heavy_atoms: | 13 |
| TPSA: | 81.44 | NumAromaticRings: | 1 |
