Glycoside
GD157149
Name:
2-(3-{[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O12Smiles:
COc1cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2CO)cc(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2CO)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 187.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD62158
Formula: C20H24O7
Smiles:
COc1cc(O)cc(CC2(O)COC(c3ccc(O)c(OC)c3)C2CO)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
