Glycoside
GD040415
Name:
beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr anoseFormula:
C20H34O14S3Smiles:
O[C@@H]1[C@H](S[C@@H]2CO[C@@H](O)[C@@H](O)[C@H]2O)OC[C@@H](S[C@@H]2OC[C@@H](S[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H]2O)[C@@H]1OAglycone:
OC1C(S)COC(SC2COC(S)C(O)C2O)C1OSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -5.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.68 | Num_heavy_atoms: | 37 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD24759
Formula: C10H18O6S3
Smiles:
OC1C(S)COC(SC2COC(S)C(O)C2O)C1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.45 | Num_heavy_atoms: | 19 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
