Glycoside
GD037684
Name:
n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamideFormula:
C23H37O9N5Smiles:
NCCCN1CCN(CCCNC(=O)c2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc([N+](=O)[O-])c2)CC1Aglycone:
NCCCN1CCN(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 527.58 | Num_heavy_atoms: | 37 |
| TPSA: | 204.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD23698
Formula: C17H27O4N5
Smiles:
NCCCN1CCN(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 365.43 | Num_heavy_atoms: | 26 |
| TPSA: | 124.97 | NumAromaticRings: | 1 |
