Glycoside
GD129984
Name:
4',7-Dihydroxyflavanone; (S)-Form, 4'-O-[β-D-Apiofuranosyl-(1->2)-β-D-Glucopyranoside], 7-O-β-D-GlucopyranosideFormula:
C32H40O18Smiles:
O=C1CC(c2ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc21Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 712.65 | Num_heavy_atoms: | 50 |
| TPSA: | 283.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD04055
Formula: C15H12O4
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
