Glycoside
GD117735
Name:
3-(acetyloxy)-6-{[8-(acetyloxy)-7-methyl-3-methylideneoct-6-en-1-yl]oxy}-2-[(acetyloxy)methyl]-5-hydroxyoxan-4-yl 2-methylbut-2-enoateFormula:
C27H40O11Smiles:
C=C(CCC=C(C)COC(C)=O)CCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(=O)C(C)=CC)C1OAglycone:
C=C(CCO)CCC=C(C)COC(C)=O.CC=C(C)C(=O)O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 540.61 | Num_heavy_atoms: | 38 |
| TPSA: | 143.89 | 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 |
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 |
AD46979
Formula: C12H20O3
Smiles:
C=C(CCO)CCC=C(C)COC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 212.29 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
