Glycoside
GD149032
Name:
4a-(acetyloxy)-7-({[3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C36H42O18Smiles:
COc1ccc(C=CC(=O)OCC2CCC3(OC(C)=O)C(C(=O)O)=COC(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C23)cc1Aglycone:
COC(C)=O.COc1ccc(C=CC(=O)OCC2CCC3(OC(C)=O)C(C(=O)O)=COC(O)C23)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 14 |
| MolWt: | 762.71 | Num_heavy_atoms: | 54 |
| TPSA: | 232.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD59601
Formula: C22H24O9
Smiles:
COc1ccc(C=CC(=O)OCC2CCC3(OC(C)=O)C(C(=O)O)=COC(O)C23)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
