Glycoside
GD129097
Name:
(5-{[2-(benzyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl benzoateFormula:
C25H30O11Smiles:
O=C(OCC1(O)COC(OC2C(O)C(CO)OC(OCc3ccccc3)C2O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(OC2OCC(O)(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
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 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
