Glycoside
GD141858
Name:
5-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl]oxy}oxan-4-yl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C25H40O11Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(CO)C(O)C(OC(=O)CC(C)(O)CC(=O)O)C1OAglycone:
CC(O)(CC(=O)O)CC(=O)O.CC1=CC(=O)CC(C)(C)C1CCC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 516.58 | Num_heavy_atoms: | 36 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD06643
Formula: C13H22O2
Smiles:
CC1=CC(=O)CC(C)(C)C1CCC(C)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.32 | Num_heavy_atoms: | 15 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD17237
Formula: C6H10O5
Smiles:
CC(O)(CC(=O)O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
