Glycoside
GD122436
Name:
{3,4,5-trihydroxy-6-[(10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl)oxy]oxan-2-yl}methyl acetateFormula:
C23H38O8Smiles:
C=CC(C)(O)CCC=C(C)CC(C=C(C)C)OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CC(O)C=C(C)C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 442.55 | Num_heavy_atoms: | 31 |
| 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 |
AD45264
Formula: C15H26O2
Smiles:
C=CC(C)(O)CCC=C(C)CC(O)C=C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
