Glycoside
GD059079
Name:
2,6,6-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylic acidFormula:
C16H26O8Smiles:
CC1=C(C(=O)O)C(C)(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CC1=C(C(=O)O)C(C)(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD05227
Formula: C10H16O3
Smiles:
CC1=C(C(=O)O)C(C)(C)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
