Glycoside
GD016554
Name:
2-({2-[4-(ethoxymethyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H32O12Smiles:
CCOCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc1Aglycone:
CCOCc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD11901
Formula: C9H12O2
Smiles:
CCOCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
