Glycoside
GD019060
Name:
NoneFormula:
C28H34O14SSmiles:
COc1cccc(C(=O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](S[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](OC(=O)c4cccc(OC)c4)[C@@H]3O)[C@@H]2O)c1Aglycone:
COc1cccc(C(=O)O)c1.COc1cccc(C(=O)O)c1Sugarmoiety:
OCC1OC(SC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.63 | Num_heavy_atoms: | 43 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD13352
Formula: C8H8O3
Smiles:
COc1cccc(C(=O)O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
