Glycoside
GD121650
Name:
6-({2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H18O12Smiles:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21Aglycone:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.36 | Num_heavy_atoms: | 33 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD20542
Formula: C15H10O6
Smiles:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
