Glycoside
GD126466
Name:
{6-[2,6-dihydroxy-4-(hydroxymethyl)phenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoateFormula:
C20H22O13Smiles:
O=C(OCC1OC(Oc2c(O)cc(CO)cc2O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.OCc1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.38 | Num_heavy_atoms: | 33 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD46373
Formula: C7H8O4
Smiles:
OCc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.14 | Num_heavy_atoms: | 11 |
| TPSA: | 80.92 | NumAromaticRings: | 1 |
