Glycoside
GD136154
Name:
Impatienoside EFormula:
C61H98O30Smiles:
CC(=O)OC1C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)CAglycone:
CC(=O)OC1C(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 10 |
| HBD: | 17 | FractionCSP3: | 0.93 |
| AlogP: | -4.49 | Num_rotatable_bonds: | 16 |
| MolWt: | 1311.43 | Num_heavy_atoms: | 91 |
| TPSA: | 479.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD55034
Formula: C32H52O5
Smiles:
CC(=O)OC1C(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD08017
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1O