Glycoside
GD092015
Name:
NoneFormula:
C23H28O6N3Smiles:
O=C(C(=O)N1CC2(CC[NH2+]CC2)c2c(-c3cccnc3)cccc21)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1cncc(-c2cccc3c2C2(CC[NH2+]CC2)CN3)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.49 | Num_heavy_atoms: | 32 |
| TPSA: | 147.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD40160
Formula: C17H20N3
Smiles:
c1cncc(-c2cccc3c2C2(CC[NH2+]CC2)CN3)c1| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 266.37 | Num_heavy_atoms: | 20 |
| TPSA: | 41.53 | NumAromaticRings: | 2 |
