Glycoside
GD113158
Name:
NoneFormula:
C41H42O6Smiles:
c1ccc(COC[C@@H](OCc2ccccc2)[C@@H]2O[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1Aglycone:
OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.c1ccc(COCCOCc2ccccc2)cc1Sugarmoiety:
OCC(O)C1OOC(O)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 7.9 | Num_rotatable_bonds: | 17 |
| MolWt: | 630.78 | Num_heavy_atoms: | 47 |
| TPSA: | 55.38 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD05556
Formula: C16H18O2
Smiles:
c1ccc(COCCOCc2ccccc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 242.32 | Num_heavy_atoms: | 18 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
