Glycoside
GD012906
Name:
NoneFormula:
C21H32O8Smiles:
COC1C(COCC(C)C)O[C@H](OCC(=O)O)C(OCc2ccccc2)[C@H]1OCAglycone:
COCC(C)C.O=C(O)CO.OCc1ccccc1Sugarmoiety:
COC1C(O)OC(O)C(O)C1OCOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 92.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
