Glycoside
GD062842
Name:
NoneFormula:
C12H18O5N4S2Smiles:
CS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(=S)[nH]cnc21Aglycone:
CSCn1cnc2c(=S)[nH]cnc21Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.43 | Num_heavy_atoms: | 23 |
| TPSA: | 147.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD30369
Formula: C7H8N4S2
Smiles:
CSCn1cnc2c(=S)[nH]cnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.3 | Num_heavy_atoms: | 13 |
| TPSA: | 46.5 | NumAromaticRings: | 2 |
