Glycoside
GD134098
Name:
Chantriolide BFormula:
C38H54O16Smiles:
CC(=O)OC1CC2C(C3OC3C3(O)CC4OC4C(OC(C)=O)C23C)C2CC(O)C(C(C)C3CC(C)=C(COC4OC(CO)C(O)C(O)C4O)C(=O)O3)C12CAglycone:
CC(=O)OC1CC2C(C3OC3C3(O)CC4OC4C(OC(C)=O)C23C)C2CC(O)C(C(C)C3CC(C)=C(CO)C(=O)O3)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 766.83 | Num_heavy_atoms: | 54 |
| TPSA: | 243.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD54253
Formula: C32H44O11
Smiles:
CC(=O)OC1CC2C(C3OC3C3(O)CC4OC4C(OC(C)=O)C23C)C2CC(O)C(C(C)C3CC(C)=C(CO)C(=O)O3)C12C| HBA: | 11 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.69 | Num_heavy_atoms: | 43 |
| TPSA: | 164.65 | NumAromaticRings: | 0 |
