Glycoside
GD124410
Name:
2-{4-[7-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-3-oxabicyclo[3.2.0]heptan-2-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H32O11Smiles:
COc1cc(C2C(O)C3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OAglycone:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)C(O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.53 | Num_heavy_atoms: | 37 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD50255
Formula: C20H22O6
Smiles:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)C(O)C23)ccc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
