Glycoside
GD033354
Name:
NoneFormula:
C20H22O7SSmiles:
COC(=O)c1cccc(-c2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
COC(=O)c1cccc(-c2ccc(S)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.46 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD21295
Formula: C14H12O2S
Smiles:
COC(=O)c1cccc(-c2ccc(S)cc2)c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.32 | Num_heavy_atoms: | 17 |
| TPSA: | 26.3 | NumAromaticRings: | 2 |
