Glycoside
GD071135
Name:
NoneFormula:
C13H20O5N4S2Smiles:
CCS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(=S)[nH]cnc21Aglycone:
CCSCn1cnc2c(=S)[nH]cnc21Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 376.46 | Num_heavy_atoms: | 24 |
| TPSA: | 147.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD33554
Formula: C8H10N4S2
Smiles:
CCSCn1cnc2c(=S)[nH]cnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.33 | Num_heavy_atoms: | 14 |
| TPSA: | 46.5 | NumAromaticRings: | 2 |
