Glycoside
GD098057
Name:
NoneFormula:
C21H30O6N4SSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(CCN4CCOCC4)c3)cc2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Sc1ccc(Nc2cnn(CCN3CCOCC3)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.56 | Num_heavy_atoms: | 32 |
| TPSA: | 132.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD41716
Formula: C15H20ON4S
Smiles:
Sc1ccc(Nc2cnn(CCN3CCOCC3)c2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.42 | Num_heavy_atoms: | 21 |
| TPSA: | 42.32 | NumAromaticRings: | 2 |
