Glycoside
GD131583
Name:
NoneFormula:
C47H88O13Smiles:
CCCCCCCCCCCCCCCCC(=O)OC1C(COC(=O)CCCCCCCCCC(C)CCCCCC)OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C1OAglycone:
CCCCCCC(C)CCCCCCCCCC(=O)OC.CCCCCCCCCCCCCCCCC(=O)O.OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 7.08 | Num_rotatable_bonds: | 35 |
| MolWt: | 861.21 | Num_heavy_atoms: | 60 |
| TPSA: | 212.67 | 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 |
AD07204
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.94 | Num_rotatable_bonds: | 15 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD48742
Formula: C19H38O2
Smiles:
CCCCCCC(C)CCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.95 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 298.51 | Num_heavy_atoms: | 21 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
