Glycoside
GD009744
Name:
[6-(hexadecyloxy)-3,4-dihydroxy-5-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C36H62O14Smiles:
CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CCCCCCCCCCCCCCCCO.COC(C)=OSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 23 |
| MolWt: | 718.88 | Num_heavy_atoms: | 50 |
| TPSA: | 182.58 | 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 |
AD01052
Formula: C16H34O
Smiles:
CCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 14 |
| MolWt: | 242.45 | Num_heavy_atoms: | 17 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
