Glycoside
GD019955
Name:
NoneFormula:
C32H52O14N4S4Smiles:
COC(=O)c1cc(NC(S)=NCCSCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(NC(S)=NCCSCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1cc(NC(S)=NCCSCCCO)cc(NC(S)=NCCSCCCO)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 21 |
| MolWt: | 845.05 | Num_heavy_atoms: | 54 |
| TPSA: | 273.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD13849
Formula: C20H32O4N4S4
Smiles:
COC(=O)c1cc(NC(S)=NCCSCCCO)cc(NC(S)=NCCSCCCO)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 15 |
| MolWt: | 520.77 | Num_heavy_atoms: | 32 |
| TPSA: | 115.54 | NumAromaticRings: | 1 |
