Glycoside
GD116263
Name:
Telosmoside A18Formula:
C67H112O30Smiles:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(OC5CC(O)C(OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12CAglycone:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 30 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.97 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 22 |
| MolWt: | 1397.6 | Num_heavy_atoms: | 97 |
| TPSA: | 413.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD45352
Formula: C28H46O7
Smiles:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.67 | Num_heavy_atoms: | 35 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
Sugarmoiety
SD04824
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(OC)C2O)C(C)O1