Glycoside
GD137313
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]methoxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C21H26O12Smiles:
O=c1ccc2ccc(OC3OC(COCC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc2o1Aglycone:
O=c1ccc2ccc(O)cc2o1Sugarmoiety:
OCC1(O)COC(COCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.43 | Num_heavy_atoms: | 33 |
| TPSA: | 188.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD07479
Formula: C9H6O3
Smiles:
O=c1ccc2ccc(O)cc2o1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 12 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
