Glycoside
GD088165
Name:
NoneFormula:
C15H18O9NBrSmiles:
COC(=O)c1cc(Br)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1OCAglycone:
COC(=O)c1cc(Br)c(N)cc1OCSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.21 | Num_heavy_atoms: | 26 |
| TPSA: | 162.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD38605
Formula: C9H10O3NBr
Smiles:
COC(=O)c1cc(Br)c(N)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.09 | Num_heavy_atoms: | 14 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
