Glycoside
GD051180
Name:
5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoic acidFormula:
C14H26O8Smiles:
CC[C@H](C)[C@@H](C[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1OAglycone:
CCC(C)C(O)CC(O)CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 322.35 | Num_heavy_atoms: | 22 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD26832
Formula: C9H18O4
Smiles:
CCC(C)C(O)CC(O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 190.24 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
