Glycoside
GD150885
Name:
3,4,5-trihydroxy-6-(pentan-2-yloxy)oxane-2-carboxylic acidFormula:
C11H20O7Smiles:
CCCC(C)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CCCC(C)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.27 | Num_heavy_atoms: | 18 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45357
Formula: C5H12O
Smiles:
CCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
