Glycoside
GD121398
Name:
3-{[2-(benzyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-2,2-dimethyl-3-oxopropanoic acidFormula:
C18H24O9Smiles:
CC(C)(C(=O)O)C(=O)OC1C(OCc2ccccc2)OC(CO)C(O)C1OAglycone:
CC(C)(C(=O)O)C(=O)O.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.38 | Num_heavy_atoms: | 27 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD48863
Formula: C5H8O4
Smiles:
CC(C)(C(=O)O)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 132.11 | Num_heavy_atoms: | 9 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
