Glycoside
GD116518
Name:
2-{[3-(acetyloxy)-6-(hydroxymethyl)-4,5-bis[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl hexanoateFormula:
C28H46O15Smiles:
CCCCCC(=O)OC1C(O)C(CO)OC1(CO)OC1OC(CO)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(C)=OAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CCCCCC(=O)OSugarmoiety:
CC(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 622.66 | Num_heavy_atoms: | 43 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00130
Formula: C6H12O2
Smiles:
CCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
