Glycoside
GD117293
Name:
3-(acetyloxy)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C20H26O12Smiles:
CC(=O)OCC(COC(=O)C=Cc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OCC(O)COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.42 | Num_heavy_atoms: | 32 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD46747
Formula: C14H16O7
Smiles:
CC(=O)OCC(O)COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
