Glycoside
GD148791
Name:
Chantriolide AFormula:
C38H52O16Smiles:
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: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 764.82 | Num_heavy_atoms: | 54 |
| TPSA: | 240.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD59523
Formula: C32H42O11
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: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 602.68 | Num_heavy_atoms: | 43 |
| TPSA: | 161.49 | NumAromaticRings: | 0 |
