Glycoside
GD126709
Name:
6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-4,5-bis[(6-methylheptanoyl)oxy]oxan-3-yl 6-methylheptanoateFormula:
C36H64O14Smiles:
CC(C)CCCCC(=O)OC1C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C(OC(=O)CCCCC(C)C)C1OC(=O)CCCCC(C)CAglycone:
CC(C)CCCCC(=O)O.CC(C)CCCCC(=O)O.CC(C)CCCCC(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 23 |
| MolWt: | 720.89 | Num_heavy_atoms: | 50 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD51284
Formula: C8H16O2
Smiles:
CC(C)CCCCC(=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 |
