Glycoside
GD105188
Name:
4,5-dihydroxy-2-{[4-hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]oxy}-6-methyloxan-3-yl 2-methylbut-2-enoateFormula:
C26H42O7Smiles:
C/C=C(/C)C(=O)O[C@@H]1[C@H](O[C@]2(C)CC[C@H](O)[C@]3(C)CC=C(C(C)C)C[C@H]23)O[C@H](C)[C@@H](O)[C@@H]1OAglycone:
CC(C)C1=CCC2(C)C(O)CCC(C)(O)C2C1.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.62 | Num_heavy_atoms: | 33 |
| TPSA: | 105.45 | 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 |
AD20604
Formula: C15H26O2
Smiles:
CC(C)C1=CCC2(C)C(O)CCC(C)(O)C2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
