Glycoside
GD116974
Name:
4'-(1-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl)-5'-oxo-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acidFormula:
C35H40O19Smiles:
CC(OC(=O)C=Cc1ccc(O)cc1)C1=CC2(C=CC3C(C(=O)O)=COC(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C32)OC1=OAglycone:
CC(OC(=O)C=Cc1ccc(O)cc1)C1=CC2(C=CC3C(C(=O)O)=COC(O)C32)OC1=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.51 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 764.69 | Num_heavy_atoms: | 54 |
| TPSA: | 297.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD46561
Formula: C23H20O9
Smiles:
CC(OC(=O)C=Cc1ccc(O)cc1)C1=CC2(C=CC3C(C(=O)O)=COC(O)C32)OC1=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.4 | Num_heavy_atoms: | 32 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
