Glycoside
GD078319
Name:
NoneFormula:
C18H23O5N3SSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(C4CC4)c3)cc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Sc1ccc(Nc2cnn(C3CC3)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 393.47 | Num_heavy_atoms: | 27 |
| TPSA: | 120.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD35945
Formula: C12H13N3S
Smiles:
Sc1ccc(Nc2cnn(C3CC3)c2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.32 | Num_heavy_atoms: | 16 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
