Glycoside
GD131492
Name:
2-(3,4-dihydroxyphenyl)ethyl 4a-hydroxy-7-methyl-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H30O13Smiles:
CC1CC(=O)C2(O)C(C(=O)OCCc3ccc(O)c(O)c3)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1CC(=O)C2(O)C(C(=O)OCCc3ccc(O)c(O)c3)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.49 | Num_heavy_atoms: | 37 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD53270
Formula: C18H20O8
Smiles:
CC1CC(=O)C2(O)C(C(=O)OCCc3ccc(O)c(O)c3)=COC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
