Glycoside
GD142335
Name:
3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propyl acetateFormula:
C17H24O8Smiles:
CC(=O)OCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC(=O)OCCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 356.37 | Num_heavy_atoms: | 25 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD57282
Formula: C11H14O3
Smiles:
CC(=O)OCCCc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
