Glycoside
GD123530
Name:
benzyl 2-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-hydroxybenzoateFormula:
C25H30O13Smiles:
O=C(OCc1ccccc1)c1c(O)cccc1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
O=C(OCc1ccccc1)c1c(O)cccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD16285
Formula: C14H12O4
Smiles:
O=C(OCc1ccccc1)c1c(O)cccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
