Glycoside
GD004868
Name:
NoneFormula:
C24H19O5N3Cl3BrSmiles:
N[C@H](Cc1ccc(Cl)cc1)C(=O)OC[C@@H]1OC(n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
COC(=O)C(N)Cc1ccc(Cl)cc1.Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 579.66 | Num_heavy_atoms: | 33 |
| TPSA: | 119.83 | 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 |
AD04197
Formula: C11H12O2NCl
Smiles:
COC(=O)C(N)Cc1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.66 | Num_heavy_atoms: | 14 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
