Glycoside
GD026364
Name:
NoneFormula:
C20H34O14SSmiles:
CO[C@@H]1O[C@H](CO)[C@H](S[C@@H]2C=C(CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
OCC1=CC(S)C(O)C(O)C1OSugarmoiety:
COC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | -5.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.55 | Num_heavy_atoms: | 35 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD06450
Formula: C7H12O4S
Smiles:
OCC1=CC(S)C(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.24 | Num_heavy_atoms: | 12 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
