Glycoside
GD093609
Name:
Paederosidic Acid Methyl EsterFormula:
C19H26O12SSmiles:
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)SC)=C[C@H](O)[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.47 | Num_heavy_atoms: | 32 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD40430
Formula: C13H16O7S
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.33 | Num_heavy_atoms: | 21 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
