Glycoside
GD144114
Name:
Jasuroside BFormula:
C61H86O33Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(C)C1CC(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(C)C1CC(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.7 |
| AlogP: | -3.56 | Num_rotatable_bonds: | 24 |
| MolWt: | 1347.33 | Num_heavy_atoms: | 94 |
| TPSA: | 483.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD57931
Formula: C43H56O18
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC(C)C1CC(OC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC| HBA: | 18 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 15 |
| MolWt: | 860.9 | Num_heavy_atoms: | 61 |
| TPSA: | 246.18 | NumAromaticRings: | 0 |
