Glycoside
GD139209
Name:
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(propan-2-yloxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C22H32O13Smiles:
COc1cc(C(=O)OCC2(O)COC(OC3C(OC(C)C)OC(CO)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
CC(C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
