Glycoside
GD090981
Name:
NoneFormula:
C17H20O8NBrSmiles:
COc1cc(Br)cc2c1OCC(C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)=C2Aglycone:
COc1cc(Br)cc2c1OCC(C(N)=O)=C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.25 | Num_heavy_atoms: | 27 |
| TPSA: | 137.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD39624
Formula: C11H10O3NBr
Smiles:
COc1cc(Br)cc2c1OCC(C(N)=O)=C2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.11 | Num_heavy_atoms: | 16 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
