Glycoside
GD019132
Name:
NoneFormula:
C31H50O14N4S4Smiles:
O=C(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:
O=C(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: | 11 | FractionCSP3: | 0.71 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 21 |
| MolWt: | 831.02 | Num_heavy_atoms: | 53 |
| TPSA: | 284.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD13394
Formula: C19H30O4N4S4
Smiles:
O=C(O)c1cc(NC(S)=NCCSCCCO)cc(NC(S)=NCCSCCCO)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 15 |
| MolWt: | 506.74 | Num_heavy_atoms: | 31 |
| TPSA: | 126.54 | NumAromaticRings: | 1 |
