Glycoside
GD132899
Name:
(-)-Massoniresinol 4'-O-Beta-D-GlucopyranosideFormula:
C26H34O13Smiles:
COc1cc(CC2(O)COC(c3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2(O)CO)ccc1OAglycone:
COc1cc(C)ccc1O.COc1ccccc1OSugarmoiety:
CO.OCC1(O)C(O)OCC1(O)O.OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD16458
Formula: C8H10O2
Smiles:
COc1cc(C)ccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD16459
Formula: C7H8O2
Smiles:
COc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
