Glycoside
GD076746
Name:
NoneFormula:
C14H22O5N4S2Smiles:
CCS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(SC)ncnc21Aglycone:
CCSCn1cnc2c(SC)ncnc21Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 390.49 | Num_heavy_atoms: | 25 |
| TPSA: | 144.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD35309
Formula: C9H12N4S2
Smiles:
CCSCn1cnc2c(SC)ncnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 240.36 | Num_heavy_atoms: | 15 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
