Glycoside
GD098790
Name:
NoneFormula:
C16H22O9NBrSmiles:
COc1cc(Br)c(OC)c(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1OCAglycone:
COc1cc(Br)c(OC)c(C(N)=O)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.25 | Num_heavy_atoms: | 27 |
| TPSA: | 146.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD42027
Formula: C10H12O4NBr
Smiles:
COc1cc(Br)c(OC)c(C(N)=O)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.11 | Num_heavy_atoms: | 16 |
| TPSA: | 70.78 | NumAromaticRings: | 1 |
