Glycoside
GD032058
Name:
NoneFormula:
C24H22O6N3Cl2BrSmiles:
COc1ccc(C[C@H](N)C(=O)OC[C@@H]2OC(n3c(Br)nc4cc(Cl)c(Cl)cc43)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)C(N)Cc1ccc(OC)cc1.Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 575.24 | Num_heavy_atoms: | 34 |
| 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 |
AD20589
Formula: C11H15O3N
Smiles:
COC(=O)C(N)Cc1ccc(OC)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 209.25 | Num_heavy_atoms: | 15 |
| TPSA: | 61.55 | NumAromaticRings: | 1 |
