Glycoside
GD006172
Name:
methyl 5-hydroxy-7-[(4-hydroxybenzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H28O13Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)c3ccc(O)cc3)=C[C@H](O)[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)c3ccc(O)cc3)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.48 | Num_heavy_atoms: | 37 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD05130
Formula: C18H18O8
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)c3ccc(O)cc3)=CC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
