Glycoside
GD128189
Name:
[5-({6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoateFormula:
C29H38O16Smiles:
COc1ccc(C(=O)OCC2(O)COC(OCC3OC(Oc4ccc(C(O)CO)cc4OC)C(O)C(O)C3O)C2O)cc1OCAglycone:
COC(=O)c1ccc(OC)c(OC)c1.COc1cc(C(O)CO)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 642.61 | Num_heavy_atoms: | 45 |
| TPSA: | 232.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD13182
Formula: C10H12O4
Smiles:
COC(=O)c1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
AD51928
Formula: C9H12O4
Smiles:
COc1cc(C(O)CO)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
