Glycoside
GD002126
Name:
NoneFormula:
C17H17O6N3SSmiles:
N#Cc1ccc(C(=O)c2cnc(N[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)s2)cc1Aglycone:
N#Cc1ccc(C(=O)c2cnc(N)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.41 | Num_heavy_atoms: | 27 |
| TPSA: | 155.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD02059
Formula: C11H7ON3S
Smiles:
N#Cc1ccc(C(=O)c2cnc(N)s2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.26 | Num_heavy_atoms: | 16 |
| TPSA: | 79.77 | NumAromaticRings: | 2 |
