Glycoside
GD130144
Name:
Premnaodoroside EFormula:
C42H62O20Smiles:
C=C1C(O)CC2C(C(=O)OCC(C)CCCCC(C)COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(=C)C(O)CC34)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
C=C1C(O)CC2C(C(=O)OCC(C)CCCCC(C)COC(=O)C3=COC(O)C4C(=C)C(O)CC34)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 17 |
| MolWt: | 886.94 | Num_heavy_atoms: | 62 |
| TPSA: | 310.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD52733
Formula: C30H42O10
Smiles:
C=C1C(O)CC2C(C(=O)OCC(C)CCCCC(C)COC(=O)C3=COC(O)C4C(=C)C(O)CC34)=COC(O)C12| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
