Glycoside
GD003845
Name:
NoneFormula:
C16H30O9Smiles:
COC1C(COCC(C)C)O[C@H](OCC(=O)O)[C@H](OCCO)[C@H]1OCAglycone:
COCC(C)C.O=C(O)COSugarmoiety:
COC1C(O)OC(O)C(OCCO)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 366.41 | Num_heavy_atoms: | 25 |
| TPSA: | 112.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD03433
Formula: C5H12O
Smiles:
COCC(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
