Glycoside
GD091472
Name:
NoneFormula:
C19H25O7N3SSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(CC4OCCO4)c3)cc2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Sc1ccc(Nc2cnn(CC3OCCO3)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.49 | Num_heavy_atoms: | 30 |
| TPSA: | 138.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD39912
Formula: C13H15O2N3S
Smiles:
Sc1ccc(Nc2cnn(CC3OCCO3)c2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 277.35 | Num_heavy_atoms: | 19 |
| TPSA: | 48.31 | NumAromaticRings: | 2 |
