Glycoside
GD014750
Name:
6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-2-oneFormula:
C21H20O9Smiles:
O=C1Oc2c(ccc(O)c2[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1=Cc1ccc(O)cc1Aglycone:
O=C1Oc2cc(O)ccc2C1=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD10806
Formula: C15H10O4
Smiles:
O=C1Oc2cc(O)ccc2C1=Cc1ccc(O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
