Glycoside
GD092024
Name:
NoneFormula:
C21H28O7N3Smiles:
OC[C@H]1O[C@H](Oc2ccc(Nc3cc[nH+]c(N4CCOCC4)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
Oc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.47 | Num_heavy_atoms: | 31 |
| TPSA: | 138.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD40165
Formula: C15H18O2N3
Smiles:
Oc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.33 | Num_heavy_atoms: | 20 |
| TPSA: | 58.87 | NumAromaticRings: | 2 |
