Glycoside
GD143120
Name:
Marstomentoside JFormula:
C55H88O23Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12CAglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(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: | 23 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 16 |
| MolWt: | 1117.29 | Num_heavy_atoms: | 78 |
| TPSA: | 315.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD57572
Formula: C28H42O8
Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(C)=O)C12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.64 | Num_heavy_atoms: | 36 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
