Glycoside
GD058578
Name:
NoneFormula:
C14H16O6N2SSmiles:
N#Cc1c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)sc2c1CCC2Aglycone:
N#Cc1c(N)sc2c1CCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.36 | Num_heavy_atoms: | 23 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD29263
Formula: C8H8N2S
Smiles:
N#Cc1c(N)sc2c1CCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.23 | Num_heavy_atoms: | 11 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
