Glycoside
GD106419
Name:
7-[(4-hydroxy-3-methoxybenzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C24H28O13Smiles:
COc1cc(C(=O)OCC2=CC[C@@H]3C(C(=O)O)=CO[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]23)ccc1OAglycone:
COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 524.48 | Num_heavy_atoms: | 37 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD44170
Formula: C18H18O8
Smiles:
COc1cc(C(=O)OCC2=CCC3C(C(=O)O)=COC(O)C23)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 362.33 | Num_heavy_atoms: | 26 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
