Glycoside
GD066773
Name:
NoneFormula:
C12H17O6N2BrSmiles:
Cn1cc(Br)cc1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cn1cc(Br)cc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.18 | Num_heavy_atoms: | 21 |
| TPSA: | 124.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD31935
Formula: C6H7ON2Br
Smiles:
Cn1cc(Br)cc1C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.04 | Num_heavy_atoms: | 10 |
| TPSA: | 48.02 | NumAromaticRings: | 1 |
