Glycoside
GD073619
Name:
NoneFormula:
C14H18O7NBrSmiles:
COc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(Br)c1Aglycone:
COc1ccc(C(N)=O)c(Br)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.2 | Num_heavy_atoms: | 23 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD34103
Formula: C8H8O2NBr
Smiles:
COc1ccc(C(N)=O)c(Br)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.06 | Num_heavy_atoms: | 12 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
