Glycoside
GD135856
Name:
2-(3,4-dihydroxyphenyl)ethyl 8-methyl-6-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C24H30O13Smiles:
CC1OC(=O)CC2C(C(=O)OCCc3ccc(O)c(O)c3)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1OC(=O)CC2C(C(=O)OCCc3ccc(O)c(O)c3)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD54927
Formula: C18H20O8
Smiles:
CC1OC(=O)CC2C(C(=O)OCCc3ccc(O)c(O)c3)=COC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
