Glycoside
GD033306
Name:
NoneFormula:
C34H60O15Smiles:
CCCCCC(=O)OC[C@@H]1O[C@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](OC(=O)CCC)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCCAglycone:
CCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(OCC(O)C(O)C(O)C(O)CO)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 26 |
| MolWt: | 708.84 | Num_heavy_atoms: | 49 |
| TPSA: | 224.81 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02869
Formula: C7H14O2
Smiles:
CCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
