Glycoside
GD115161
Name:
{3,4,5-trihydroxy-6-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]oxan-2-yl}methyl nonadecanoateFormula:
C31H58O12Smiles:
CCCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCCCCCCCCCCCCCCCCCC(=O)OC.OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 21 |
| MolWt: | 622.79 | Num_heavy_atoms: | 43 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00421
Formula: C6H12O6
Smiles:
OC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.16 | Num_heavy_atoms: | 12 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
AD02089
Formula: C20H40O2
Smiles:
CCCCCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.95 |
| AlogP: | 6.81 | Num_rotatable_bonds: | 17 |
| MolWt: | 312.54 | Num_heavy_atoms: | 22 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
