Glycoside
GD139891
Name:
8-(1,2-dihydroxyethyl)-9-hydroxy-4-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-1,7-dioxaspiro[4.4]nonane-2,6-dioneFormula:
C21H26O13Smiles:
O=C1CC(c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)C2(O1)C(=O)OC(C(O)CO)C2OAglycone:
O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC(C(O)CO)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -3.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.43 | Num_heavy_atoms: | 34 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD56418
Formula: C15H16O8
Smiles:
O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC(C(O)CO)C2O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.29 | Num_heavy_atoms: | 23 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
