Glycoside
GD092026
Name:
NoneFormula:
C21H31O6N4Smiles:
OC[C@H]1O[C@@H](Oc2ccc(Nc3cnn(CC[NH+]4CCCC4)c3)cc2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Oc1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 435.5 | Num_heavy_atoms: | 31 |
| TPSA: | 133.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD40166
Formula: C15H21ON4
Smiles:
Oc1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.36 | Num_heavy_atoms: | 20 |
| TPSA: | 54.52 | NumAromaticRings: | 2 |
