Glycoside
GD131880
Name:
Verticilloside AFormula:
C50H80O22Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(C)=O)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Aglycone:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 14 |
| MolWt: | 1033.17 | Num_heavy_atoms: | 72 |
| TPSA: | 306.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD08160
Formula: C23H34O7
Smiles:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)=O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 422.52 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
