Glycoside
GD125976
Name:
Solasodoside BFormula:
C45H70O21Smiles:
CC1OC(OC2C(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(=O)C(C)(O)C54)C3)OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1(O)C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 947.03 | Num_heavy_atoms: | 66 |
| TPSA: | 322.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD50954
Formula: C22H32O4
Smiles:
CC1(O)C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 360.49 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
