Glycoside
GD121408
Name:
DioscininFormula:
C51H82O21Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2CSugarmoiety:
CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 1031.2 | Num_heavy_atoms: | 72 |
| TPSA: | 314.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD05155
Formula: C27H42O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
