Glycoside
GD114739
Name:
benzyl 2-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]benzoateFormula:
C25H30O12Smiles:
O=C(OCc1ccccc1)c1ccccc1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
O=C(OCc1ccccc1)c1ccccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD45249
Formula: C14H12O3
Smiles:
O=C(OCc1ccccc1)c1ccccc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
