Glycoside
GD012684
Name:
NoneFormula:
C19H34O14SSmiles:
OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)O[C@H](CC[C@@H]3S[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC1SC(CO)C(O)C(O)C1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -6.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.53 | Num_heavy_atoms: | 34 |
| TPSA: | 250.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD09539
Formula: C8H16O4S
Smiles:
CCC1SC(CO)C(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 208.28 | Num_heavy_atoms: | 13 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
