Glycoside
GD066568
Name:
NoneFormula:
C11H16O6N4S2Smiles:
CSc1nnc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(SC)n1Aglycone:
CSc1nnc(N)c(SC)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 364.41 | Num_heavy_atoms: | 23 |
| TPSA: | 165.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD31839
Formula: C5H8N4S2
Smiles:
CSc1nnc(N)c(SC)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.28 | Num_heavy_atoms: | 11 |
| TPSA: | 64.69 | NumAromaticRings: | 1 |
