Glycoside
GD137472
Name:
Eximisoside AFormula:
C55H86O24Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CC=CC(C)(C)O)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(O)C4O)C(O)C3O)C2O)C1OAglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CC=CC(C)(C)O)C13Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.89 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 15 |
| MolWt: | 1131.27 | Num_heavy_atoms: | 79 |
| TPSA: | 358.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD49861
Formula: C32H48O6
Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CC=CC(C)(C)O)C13| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
