Glycoside
GD129549
Name:
2-({2,5-bis[(acetyloxy)methyl]-3,4-dihydroxyoxolan-2-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-[(5-methylhexanoyl)oxy]oxan-3-yl 5-methylheptanoateFormula:
C31H52O15Smiles:
CCC(C)CCCC(=O)OC1C(OC2(COC(C)=O)OC(COC(C)=O)C(O)C2O)OC(CO)C(O)C1OC(=O)CCCC(C)CAglycone:
CC(C)CCCC(=O)O.CCC(C)CCCC(=O)O.COC(C)=O.COC(C)=OSugarmoiety:
OCC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 18 |
| MolWt: | 664.74 | Num_heavy_atoms: | 46 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46627
Formula: C7H14O2
Smiles:
CC(C)CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD52478
Formula: C8H16O2
Smiles:
CCC(C)CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 144.21 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
