Glycoside
GD029777
Name:
3,4,5-trihydroxy-6-[(2-propylpentanoyl)oxy]oxane-2-carboxylic acidFormula:
C14H24O8Smiles:
CCCC(CCC)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCC(CCC)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 320.34 | Num_heavy_atoms: | 22 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD05222
Formula: C8H16O2
Smiles:
CCCC(CCC)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
