Glycoside
GD115486
Name:
1-(3,4-dihydroxyphenyl)-2-{2-hydroxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethane-1,2-dioneFormula:
C25H28O15Smiles:
O=C(C(=O)c1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)cc1O)c1ccc(O)c(O)c1Aglycone:
O=C(C(=O)c1ccc(O)cc1O)c1ccc(O)c(O)c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.48 | Num_heavy_atoms: | 40 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD45693
Formula: C14H10O6
Smiles:
O=C(C(=O)c1ccc(O)cc1O)c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 115.06 | NumAromaticRings: | 2 |
