Glycoside
GD142780
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-hydroxy-2H-chromen-2-oneFormula:
C20H24O13Smiles:
O=c1ccc2cc(O)c(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc2o1Aglycone:
O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.4 | Num_heavy_atoms: | 33 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
