Glycoside
GD085229
Name:
NoneFormula:
C18H18O6N4SSmiles:
N#Cc1cnc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)cn1Aglycone:
N#Cc1cnc(C(=O)Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.43 | Num_heavy_atoms: | 29 |
| TPSA: | 168.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD38128
Formula: C12H8ON4S
Smiles:
N#Cc1cnc(C(=O)Nc2ccc(S)cc2)cn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.29 | Num_heavy_atoms: | 18 |
| TPSA: | 78.67 | NumAromaticRings: | 2 |
