Glycoside
GD026427
Name:
SYRINGARESINOL-4'-O-[4',6'-O-(E)-DIFERULOYL]-BETA-D-GLUCOPYRANOSIDEFormula:
C48H52O19Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](Oc3c(OC)cc([C@@H]4OC[C@@H]5[C@H]4CO[C@H]5c4cc(OC)c(O)c(OC)c4)cc3OC)[C@H](O)[C@H](O)[C@H]2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 17 |
| MolWt: | 932.93 | Num_heavy_atoms: | 67 |
| TPSA: | 246.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD02930
Formula: C22H26O8
Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 2 |
