Glycoside
GD091307
Name:
NoneFormula:
C21H27O7N3Smiles:
OC[C@H]1O[C@@H](Oc2ccc(Nc3cncc(N4CCOCC4)c3)cc2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Oc1ccc(Nc2cncc(N3CCOCC3)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.46 | Num_heavy_atoms: | 31 |
| TPSA: | 136.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD39830
Formula: C15H17O2N3
Smiles:
Oc1ccc(Nc2cncc(N3CCOCC3)c2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.32 | Num_heavy_atoms: | 20 |
| TPSA: | 57.62 | NumAromaticRings: | 2 |
