Glycoside
GD107345
Name:
CunilosideFormula:
C26H40O10Smiles:
CC(C)(O)[C@H]1CC=C(C(=O)OC[C@H]2O[C@@H](OC(=O)C3=CC[C@H](C(C)(C)O)CC3)[C@H](O)[C@@H](O)[C@@H]2O)CC1Aglycone:
CC(C)(O)C1CC=C(C(=O)O)CC1.COC(=O)C1=CCC(C(C)(C)O)CC1Sugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD04696
Formula: C11H18O3
Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD17498
Formula: C10H16O3
Smiles:
CC(C)(O)C1CC=C(C(=O)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
