Glycoside
GD118474
Name:
{6-[2-(butan-2-yl)-4,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetateFormula:
C18H26O9Smiles:
CCC(C)c1cc(O)cc(O)c1OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
CCC(C)c1cc(O)cc(O)c1O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.4 | Num_heavy_atoms: | 27 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47376
Formula: C10H14O3
Smiles:
CCC(C)c1cc(O)cc(O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
