Glycoside
GD033799
Name:
TRIGOFOENOSIDE AFormula:
C45H74O18Smiles:
C[C@@H](CCC1(O)OC2CC3C4CC=C5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]5(C)C4CC[C@]3(C)C2[C@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 903.07 | Num_heavy_atoms: | 63 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01953
Formula: C27H44O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
