Glycoside
GD147414
Name:
3-{[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]methoxy}-3-oxopropanoic acidFormula:
C29H42O11Smiles:
C=C1CCC2C(C)(COC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)CCCC2(C)C1CCC1=CCOC1=OAglycone:
C=C1CCC2C(C)(CO)CCCC2(C)C1CCC1=CCOC1=O.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
