Glycoside
GD158079
Name:
{6-hydroxy-5-[(3-methylbutanoyl)oxy]-2-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-1H,1aH,1bH,4H,5H,5aH,6H,6aH-cyclopropa[a]inden-6-yl}methyl 3-methylbutanoateFormula:
C34H54O16Smiles:
CC(C)CC(=O)OCC1(O)C2CC2C2C(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=CCC(OC(=O)CC(C)C)C21Aglycone:
CC(C)CC(=O)OCC1(O)C2CC2C2C(CO)=CCC(OC(=O)CC(C)C)C21Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 14 |
| MolWt: | 718.79 | Num_heavy_atoms: | 50 |
| TPSA: | 251.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD62422
Formula: C22H34O6
Smiles:
CC(C)CC(=O)OCC1(O)C2CC2C2C(CO)=CCC(OC(=O)CC(C)C)C21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 394.51 | Num_heavy_atoms: | 28 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
