Glycoside
GD114937
Name:
Chinenoside IiFormula:
C49H78O22Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)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)C2OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 1019.14 | Num_heavy_atoms: | 71 |
| TPSA: | 342.9 | 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 |
