Glycoside
GD140072
Name:
[6-({2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C23H22O12Smiles:
CC(=O)OCC1OC(Oc2ccc3c(c2O)OC(=Cc2ccc(O)c(O)c2)C3=O)C(O)C(O)C1OAglycone:
COC(C)=O.O=C1C(=Cc2ccc(O)c(O)c2)Oc2c1ccc(O)c2OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06814
Formula: C15H10O6
Smiles:
O=C1C(=Cc2ccc(O)c(O)c2)Oc2c1ccc(O)c2O| 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 |
