Glycoside
GD009185
Name:
NoneFormula:
C32H56O15Smiles:
CCCCC(=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)CCCC)[C@H](OC(=O)CCCC)[C@H]1OC(=O)CCCCAglycone:
CCCCC(=O)O.CCCCC(=O)O.CCCCC(=O)O.CCCCC(=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: | 1.2 | Num_rotatable_bonds: | 24 |
| MolWt: | 680.78 | Num_heavy_atoms: | 47 |
| TPSA: | 224.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD01564
Formula: C5H10O2
Smiles:
CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD07225
Formula: C6H12O2
Smiles:
CCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
