Glycoside
GD157008
Name:
Tuberoside B(Allium)Formula:
C51H84O22Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C12Aglycone:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 14 |
| MolWt: | 1049.21 | Num_heavy_atoms: | 73 |
| TPSA: | 346.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD13878
Formula: C27H44O4
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C12| 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 |
