Glycoside
GD120808
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylpropanoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C15H24O8Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)C)OC(CO)C(O)C1OAglycone:
CC(C)C(=O)O.CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.35 | Num_heavy_atoms: | 23 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
