Glycoside
GD070001
Name:
NoneFormula:
C15H14O6N2SSmiles:
N#Cc1c(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)sc2ccccc12Aglycone:
N#Cc1c(N)sc2ccccc12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.35 | Num_heavy_atoms: | 24 |
| TPSA: | 150.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD33162
Formula: C9H6N2S
Smiles:
N#Cc1c(N)sc2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 174.23 | Num_heavy_atoms: | 12 |
| TPSA: | 49.81 | NumAromaticRings: | 2 |
