Glycoside
GD048427
Name:
NoneFormula:
C11H16O6N2SSmiles:
CN(Cc1cncs1)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CNCc1cncs1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 304.32 | Num_heavy_atoms: | 20 |
| TPSA: | 131.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD25878
Formula: C5H8N2S
Smiles:
CNCc1cncs1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 128.2 | Num_heavy_atoms: | 8 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
