Glycoside
GD021346
Name:
NoneFormula:
C10H12O6NBrSmiles:
O=c1c(Br)c(O)ccn1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]ccc(O)c1BrSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.11 | Num_heavy_atoms: | 18 |
| TPSA: | 112.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD14613
Formula: C5H4O2NBr
Smiles:
O=c1[nH]ccc(O)c1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.0 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
