Glycoside
GD037911
Name:
2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranosideFormula:
C22H26O8N3ClSmiles:
CN1CCN(c2c(Nc3ccc(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)c(Cl)c3)c(=O)c2=O)CC1Aglycone:
CN1CCN(c2c(Nc3ccc(O)c(Cl)c3)c(=O)c2=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 483.91 | Num_heavy_atoms: | 33 |
| TPSA: | 152.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD17980
Formula: C16H16O3N3Cl
Smiles:
CN1CCN(c2c(Nc3ccc(O)c(Cl)c3)c(=O)c2=O)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.76 | Num_heavy_atoms: | 22 |
| TPSA: | 72.88 | NumAromaticRings: | 2 |
