Glycoside
GD133345
Name:
Solasodoside EFormula:
C51H81O22NSmiles:
COC1(C(=O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C(C)=O)CC(C)CN1Aglycone:
COC1(C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)CC(C)CN1Sugarmoiety:
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: | 23 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 1060.19 | Num_heavy_atoms: | 74 |
| TPSA: | 340.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD53974
Formula: C28H43O5N
Smiles:
COC1(C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)=O)CC(C)CN1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 473.65 | Num_heavy_atoms: | 34 |
| TPSA: | 84.86 | NumAromaticRings: | 0 |
