Glycoside
GD133012
Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2-phenylpropanoateFormula:
C21H30O12Smiles:
CC(C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
CC(C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD53848
Formula: C9H10O2
Smiles:
CC(C(=O)O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
