Glycoside
GD034626
Name:
NoneFormula:
C28H48O15Smiles:
CCCC(=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)CCC)[C@H]1OC(=O)CCCAglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=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: | 0.86 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 20 |
| MolWt: | 624.68 | Num_heavy_atoms: | 43 |
| TPSA: | 224.81 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD01168
Formula: C5H10O2
Smiles:
CCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
