Glycoside
GD118855
Name:
1-(acetyloxy)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C20H26O11Smiles:
CC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)C=Cc1ccc(O)cc1Aglycone:
CC(=O)OCC(CO)OC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD47560
Formula: C14H16O6
Smiles:
CC(=O)OCC(CO)OC(=O)C=Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 280.28 | Num_heavy_atoms: | 20 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
