Glycoside
GD119080
Name:
Verticilloside FFormula:
C48H80O21Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(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)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(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: | 21 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 13 |
| MolWt: | 993.15 | Num_heavy_atoms: | 69 |
| TPSA: | 303.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD46580
Formula: C21H34O6
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 382.5 | Num_heavy_atoms: | 27 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
