Glycoside
GD020581
Name:
NoneFormula:
C15H18O8NBrSmiles:
O=C(N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(Br)c2c(c1)OCCO2Aglycone:
NC(=O)c1cc(Br)c2c(c1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 420.21 | Num_heavy_atoms: | 25 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD14195
Formula: C9H8O3NBr
Smiles:
NC(=O)c1cc(Br)c2c(c1)OCCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.07 | Num_heavy_atoms: | 14 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
