Glycoside
GD014201
Name:
NoneFormula:
C21H38O10Smiles:
CCCCCC(=O)OC[C@H](CO)O[C@@H]1O[C@H](COC(=O)CCCCC)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(=O)OC.CCCCCC(=O)OCC(O)COSugarmoiety:
OCC(O)OC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 15 |
| MolWt: | 450.53 | Num_heavy_atoms: | 31 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD10478
Formula: C9H18O4
Smiles:
CCCCCC(=O)OCC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 190.24 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
