Glycoside
GD122147
Name:
Premnaodoroside AFormula:
C42H66O20Smiles:
CC(CCCCC(C)COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)O)COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)OAglycone:
CC(CCCCC(C)COC(=O)C1=COC(O)C2C1CCC2(C)O)COC(=O)C1=COC(O)C2C1CCC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.86 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 17 |
| MolWt: | 890.97 | Num_heavy_atoms: | 62 |
| TPSA: | 310.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD49201
Formula: C30H46O10
Smiles:
CC(CCCCC(C)COC(=O)C1=COC(O)C2C1CCC2(C)O)COC(=O)C1=COC(O)C2C1CCC2(C)O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 566.69 | Num_heavy_atoms: | 40 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
