Glycoside
GD112631
Name:
3-(acetyloxy)-2-[(acetyloxy)methyl]-5-(hexanoyloxy)-6-(2,3,4-trihydroxybutoxy)oxan-4-yl tetradecanoateFormula:
C34H60O13Smiles:
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)CCCCC)[C@H](OC[C@H](O)[C@H](O)CO)O[C@H](COC(C)=O)[C@H]1OC(C)=OAglycone:
CCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(O)C(O)C(OCC(O)C(O)CO)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 26 |
| MolWt: | 676.84 | Num_heavy_atoms: | 47 |
| TPSA: | 184.35 | 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 |
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 |
AD05231
Formula: C14H28O2
Smiles:
CCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 228.38 | Num_heavy_atoms: | 16 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
