Glycoside
GD116746
Name:
3,5-dihydroxy-2-{[5-hydroxy-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl 2-methylbut-2-enoateFormula:
C26H42O8Smiles:
C=C1CCC(O)C2(C)CCC(C(C)C)C(OC3OC(CO)C(O)C(OC(=O)C(C)=CC)C3O)C12Aglycone:
C=C1CCC(O)C2(C)CCC(C(C)C)C(O)C12.CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.61 | Num_heavy_atoms: | 34 |
| TPSA: | 125.68 | 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 |
AD21495
Formula: C15H26O2
Smiles:
C=C1CCC(O)C2(C)CCC(C(C)C)C(O)C12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
