Glycoside
GD027244
Name:
NoneFormula:
C25H34O14SSmiles:
COc1ccc(S[C@@H]2O[C@H](COC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1Aglycone:
COC(C)=O.COc1ccc(S)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 590.6 | Num_heavy_atoms: | 40 |
| TPSA: | 196.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10608
Formula: C7H8OS
Smiles:
COc1ccc(S)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.21 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
