Glycoside
GD123780
Name:
{3,4,5-trihydroxy-6-[(8-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl)oxy]oxan-2-yl}methyl acetateFormula:
C18H30O8Smiles:
C=C(CCC=C(C)CO)CCOC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
C=C(CCO)CCC=C(C)CO.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 374.43 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
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 |
AD48264
Formula: C10H18O2
Smiles:
C=C(CCO)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
