Glycoside
GD002292
Name:
NoneFormula:
C25H24O6N3Cl2BrSmiles:
CCOc1ccc(C[C@H](N)C(=O)OC[C@@H]2OC(n3c(Br)nc4cc(Cl)c(Cl)cc43)[C@H](O)[C@H]2O)cc1Aglycone:
CCOc1ccc(CC(N)C(=O)OC)cc1.Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 589.27 | Num_heavy_atoms: | 35 |
| TPSA: | 129.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD01427
Formula: C9H2N2Cl2Br
Smiles:
Clc1cc2c(cc1Cl)N=C(Br)[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.92 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
AD02202
Formula: C12H17O3N
Smiles:
CCOc1ccc(CC(N)C(=O)OC)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 223.27 | Num_heavy_atoms: | 16 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
