Glycoside
GD040435
Name:
methyl4,4ii,4iii,4iv-tetrathio-beta-d-xylopentosideFormula:
C26H44O17S4Smiles:
CO[C@H]1OC[C@H](S[C@H]2OC[C@H](S[C@H]3OC[C@H](S[C@H]4OC[C@H](S[C@H]5OC[C@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
OC1C(S)COC(SC2COC(SC3COC(S)C(O)C3O)C(O)C2O)C1OSugarmoiety:
COC1OCC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -5.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.89 | Num_heavy_atoms: | 47 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD24760
Formula: C15H26O9S4
Smiles:
OC1C(S)COC(SC2COC(SC3COC(S)C(O)C3O)C(O)C2O)C1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.63 | Num_heavy_atoms: | 28 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
