Glycoside
GD154597
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 decanoateFormula:
C32H54O15Smiles:
CCCCCCCCCC(=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.CCCCCCCCCC(=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: | 0.88 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 19 |
| MolWt: | 678.77 | Num_heavy_atoms: | 47 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD01332
Formula: C10H20O2
Smiles:
CCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 172.27 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
