Glycoside
GD103322
Name:
NoneFormula:
C22H24O6N4SSmiles:
Cc1cccc(-n2cnc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)n2)c1Aglycone:
Cc1cccc(-n2cnc(C(=O)Nc3ccc(S)cc3)n2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.52 | Num_heavy_atoms: | 33 |
| TPSA: | 149.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD43731
Formula: C16H14ON4S
Smiles:
Cc1cccc(-n2cnc(C(=O)Nc3ccc(S)cc3)n2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.38 | Num_heavy_atoms: | 22 |
| TPSA: | 59.81 | NumAromaticRings: | 3 |
