Glycoside
GD130917
Name:
4,5-dihydroxy-6-[(2-methylbutoxy)methyl]-2-(2-methylpropoxy)oxan-3-yl acetateFormula:
C17H32O7Smiles:
CCC(C)COCC1OC(OCC(C)C)C(OC(C)=O)C(O)C1OAglycone:
CC(C)CO.CCC(C)COCSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 348.44 | Num_heavy_atoms: | 24 |
| TPSA: | 94.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD06374
Formula: C4H10O
Smiles:
CC(C)CO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD53057
Formula: C6H14O
Smiles:
CCC(C)COC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
