Glycoside
GD132724
Name:
[6-({1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalen-1-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C28H42O9Smiles:
C=C1CCC2C(C)(COC3OC(COC(C)=O)C(O)C(O)C3O)CCCC2(C)C1CCC1=CCOC1=OAglycone:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC1=CCOC1=O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 131.75 | 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 |
AD02290
Formula: C20H30O3
Smiles:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC1=CCOC1=O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
