Glycoside
GD116154
Name:
2-({4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0â´,â¶]dodecan-12-yl}methoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-methylbut-2-enoateFormula:
C26H40O8Smiles:
C=C1CCC2OC2(C)CCC2C1CC2(C)COC1OC(CO)C(O)C(O)C1OC(=O)C(C)=CCAglycone:
C=C1CCC2OC2(C)CCC2C1CC2(C)CO.CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 117.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46080
Formula: C15H24O2
Smiles:
C=C1CCC2OC2(C)CCC2C1CC2(C)CO| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 32.76 | NumAromaticRings: | 0 |
