Glycoside
GD157781
Name:
Perennisoside VFormula:
C56H90O25Smiles:
CC(=O)OCC1(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(C)C(O)C(O)C3O)CCC21CAglycone:
CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 13 |
| MolWt: | 1163.31 | Num_heavy_atoms: | 81 |
| TPSA: | 400.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD00141
Formula: C32H50O6
Smiles:
CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
