Glycoside
GD014348
Name:
NoneFormula:
C20H23O5N4Cl2BrSmiles:
NCCCC[C@H](N)C(=O)OC[C@@H]1OC(n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
COC(=O)C(N)CCCCN.Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.22 | Num_heavy_atoms: | 30 |
| TPSA: | 145.85 | NumAromaticRings: | 2 |
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 |
AD10560
Formula: C7H16O2N2
Smiles:
COC(=O)C(N)CCCCN| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 160.22 | Num_heavy_atoms: | 11 |
| TPSA: | 78.34 | NumAromaticRings: | 0 |
