Glycoside
GD118660
Name:
(+)-Pinoresinol 4-O-(6''-O-Galloyl)-Beta-D-GlucopyranosideFormula:
C33H36O15Smiles:
COc1cc(C2OCC3C(c4ccc(OC5OC(COC(=O)c6cc(O)c(O)c(O)c6)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.64 | Num_heavy_atoms: | 48 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
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 |
AD02760
Formula: C20H22O6
Smiles:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.39 | Num_heavy_atoms: | 26 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
