Glycoside
GD014493
Name:
NoneFormula:
C28H34O12SSmiles:
Cc1ccc(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)c4ccc(C)cc4)[C@@H]3O)[C@@H]2O)cc1Aglycone:
Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1Sugarmoiety:
OCC1OC(SC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.64 | Num_heavy_atoms: | 41 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
