Glycoside
GD133731
Name:
5,6-dihydroxy-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]-2,3-dihydro-1-benzofuran-2-oneFormula:
C21H20O10Smiles:
O=C1Oc2cc(O)c(O)cc2C1=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
O=C1Oc2cc(O)c(O)cc2C1=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD54110
Formula: C15H10O5
Smiles:
O=C1Oc2cc(O)c(O)cc2C1=Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
