Glycoside
GD139964
Name:
2-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C21H32O14Smiles:
COC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccc(O)c(O)c1Aglycone:
COC(CO)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 508.47 | Num_heavy_atoms: | 35 |
| TPSA: | 228.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD11661
Formula: C9H12O4
Smiles:
COC(CO)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
