Glycoside
GD131459
Name:
[5-(acetyloxy)-3,4-dihydroxy-6-[(2-methylpropanoyl)oxy]oxan-2-yl]methyl 2-methylbut-2-enoateFormula:
C17H26O9Smiles:
CC=C(C)C(=O)OCC1OC(OC(=O)C(C)C)C(OC(C)=O)C(O)C1OAglycone:
CC(C)C(=O)O.CC=C(C)C(=O)OCSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.39 | Num_heavy_atoms: | 26 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD45418
Formula: C6H10O2
Smiles:
CC=C(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
