Glycoside
GD050859
Name:
NoneFormula:
C11H13O6N3SSmiles:
N#Cc1cnc(CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)s1Aglycone:
N#Cc1cnc(CN)s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 315.31 | Num_heavy_atoms: | 21 |
| TPSA: | 163.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD26754
Formula: C5H5N3S
Smiles:
N#Cc1cnc(CN)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.18 | Num_heavy_atoms: | 9 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
