Glycoside
GD157268
Name:
Chinenoside IiiFormula:
C44H70O18Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12Aglycone:
CC1=C(CCC(C)CO)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 887.03 | Num_heavy_atoms: | 62 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45372
Formula: C27H42O4
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
