Glycoside
GD133153
Name:
1-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-methyl-6-oxo-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylic acidFormula:
C25H28O14Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)C12Aglycone:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD03047
Formula: C10H12O6
Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
