Glycoside
GD145744
Name:
4-{4-[(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}methyl 1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-(butan-2-yl)-2-hydroxybutanedioateFormula:
C35H48O16Smiles:
CCC1OC(Oc2ccc(COC(=O)CC(O)(C(=O)OCc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)C(C)CC)cc2)C(O)C(O)C1OAglycone:
CCC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 15 |
| MolWt: | 724.75 | Num_heavy_atoms: | 51 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD47103
Formula: C22H26O7
Smiles:
CCC(C)C(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
