Glycoside
GD115890
Name:
Tuboanoside AFormula:
C48H74O21Smiles:
CC(=O)OC1CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CC2=CCC3C4CCC(C5CC6(C)C(=O)OC5CC6(C)O)C4(C)CCC3C21CAglycone:
CC(=O)OC1CC(O)CC2=CCC3C4CCC(C5CC6(C)C(=O)OC5CC6(C)O)C4(C)CCC3C21CSugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.92 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 987.1 | Num_heavy_atoms: | 69 |
| TPSA: | 330.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD45925
Formula: C30H44O6
Smiles:
CC(=O)OC1CC(O)CC2=CCC3C4CCC(C5CC6(C)C(=O)OC5CC6(C)O)C4(C)CCC3C21C| HBA: | 6 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
