Glycoside
GD079049
Name:
NoneFormula:
C19H28O6SSmiles:
CO[C@@H]1[C@H](Sc2ccccc2)OC[C@@H](OC)[C@H]1O[C@H]1OCCC[C@H]1OCAglycone:
COC1CCCOC1O.Sc1ccccc1Sugarmoiety:
COC1COC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.68 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.49 | Num_heavy_atoms: | 26 |
| TPSA: | 55.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD07729
Formula: C6H6S
Smiles:
Sc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.18 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD36260
Formula: C6H12O3
Smiles:
COC1CCCOC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
