Glycoside
GD134110
Name:
3,4-Dihydro-3-MethoxypaederosideFormula:
C19H26O12SSmiles:
COC1OC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)SC)=CC3OC(=O)C1C32Aglycone:
COC1OC(O)C2C(COC(=O)SC)=CC3OC(=O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.47 | Num_heavy_atoms: | 32 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD45967
Formula: C13H16O7S
Smiles:
COC1OC(O)C2C(COC(=O)SC)=CC3OC(=O)C1C32| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.33 | Num_heavy_atoms: | 21 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
