Glycoside
GD065469
Name:
NoneFormula:
C11H16O6N3BrSmiles:
Cn1cc(Br)nc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1=OAglycone:
Cn1cc(Br)nc(N)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.17 | Num_heavy_atoms: | 21 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD31484
Formula: C5H6ON3Br
Smiles:
Cn1cc(Br)nc(N)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 204.03 | Num_heavy_atoms: | 10 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
