Glycoside
GD021658
Name:
NoneFormula:
C11H12O4N2S2Smiles:
OCC1OC(c2scc3c(=S)[nH]cnc23)C(O)C1OAglycone:
S=c1[nH]cnc2cscc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.36 | Num_heavy_atoms: | 19 |
| TPSA: | 98.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD14765
Formula: C6H4N2S2
Smiles:
S=c1[nH]cnc2cscc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.25 | Num_heavy_atoms: | 10 |
| TPSA: | 28.68 | NumAromaticRings: | 2 |
