Glycoside
GD117335
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-3-yl 3-hydroxy-2,2,4-trimethylocta-4,6-dienoateFormula:
C23H38O13Smiles:
CC=CC=C(C)C(O)C(C)(C)C(=O)OC1C(CO)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1OAglycone:
CC=CC=C(C)C(O)C(C)(C)C(=O)O.OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.78 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.54 | Num_heavy_atoms: | 36 |
| TPSA: | 226.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00421
Formula: C6H12O6
Smiles:
OC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.16 | Num_heavy_atoms: | 12 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
AD46768
Formula: C11H18O3
Smiles:
CC=CC=C(C)C(O)C(C)(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
