Glycoside
GD134443
Name:
4-hydroxy-3-{2-[6-hydroxy-4,8a-dimethyl-2-methylidene-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-decahydronaphthalen-1-yl]ethylidene}oxolan-2-oneFormula:
C26H40O10Smiles:
C=C1CC(C)(COC2OC(CO)C(O)C(O)C2O)C2CC(O)CCC2(C)C1CC=C1C(=O)OCC1OAglycone:
C=C1CC(C)(CO)C2CC(O)CCC2(C)C1CC=C1C(=O)OCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54386
Formula: C20H30O5
Smiles:
C=C1CC(C)(CO)C2CC(O)CCC2(C)C1CC=C1C(=O)OCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
