Glycoside
GD115121
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 2-(3-benzoylphenyl)propanoateFormula:
C28H34O13Smiles:
CC(C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)c1cccc(C(=O)c2ccccc2)c1Aglycone:
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD18038
Formula: C16H14O3
Smiles:
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.28 | Num_heavy_atoms: | 19 |
| TPSA: | 54.37 | NumAromaticRings: | 2 |
