Glycoside
GD139598
Name:
6-hydroxy-2-[(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]-2,3-dihydro-1-benzofuran-3-oneFormula:
C21H20O10Smiles:
O=C1C(=Cc2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)Oc2cc(O)ccc21Aglycone:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(O)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD21024
Formula: C15H10O5
Smiles:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(O)ccc21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
