Glycoside
GD135635
Name:
[3,4,5-trihydroxy-6-({1-methyl-7-[(3-methylbutanoyl)oxy]-2-oxo-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}peroxy)oxan-2-yl]methyl 2,3,5-trihydroxypentanoateFormula:
C26H40O14Smiles:
CC(C)CC(=O)OC1CC=C(OOC2OC(COC(=O)C(O)C(O)CCO)C(O)C(O)C2O)C2CC(=O)C(C)C12Aglycone:
CC(C)CC(=O)OC1CC=C(OO)C2CC(=O)C(C)C12.COC(=O)C(O)C(O)CCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 576.59 | Num_heavy_atoms: | 40 |
| TPSA: | 218.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD52226
Formula: C15H22O5
Smiles:
CC(C)CC(=O)OC1CC=C(OO)C2CC(=O)C(C)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
AD54845
Formula: C6H12O5
Smiles:
COC(=O)C(O)C(O)CCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 164.16 | Num_heavy_atoms: | 11 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
