Glycoside
GD067577
Name:
NoneFormula:
C14H13O6N3SSmiles:
N#Cc1nc2ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc2s1Aglycone:
N#Cc1nc2ccc(N)cc2s1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.34 | Num_heavy_atoms: | 24 |
| TPSA: | 163.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD32200
Formula: C8H5N3S
Smiles:
N#Cc1nc2ccc(N)cc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.22 | Num_heavy_atoms: | 12 |
| TPSA: | 62.7 | NumAromaticRings: | 2 |
