Glycoside
GD008783
Name:
CLADIONOL AFormula:
C44H78O16Smiles:
CCC(C)CC(C)CC(C)C(O[C@@H]1O[C@H](C(=O)OC)[C@H](O)[C@H](O)[C@H]1O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)[C@H](O)[C@H](C)C(=O)OC[C@H](O)[C@H](O)[C@H](O)COAglycone:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=OSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.82 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 25 |
| MolWt: | 863.09 | Num_heavy_atoms: | 60 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD06969
Formula: C32H58O5
Smiles:
CCC(C)CC(C)CC(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 17 |
| MolWt: | 522.81 | Num_heavy_atoms: | 37 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
