Glycoside
GD148268
Name:
Dongtingnoid AFormula:
C29H48O9Smiles:
COCC1OC(OC2C3=C(C(C)C)CCC3(C)C=C3C(CCC3(COC)OC)C(C)C2O)C(O)C(O)C1OAglycone:
COCC1(OC)CCC2C1=CC1(C)CCC(C(C)C)=C1C(O)C(O)C2CSugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.69 | Num_heavy_atoms: | 38 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD59341
Formula: C22H36O4
Smiles:
COCC1(OC)CCC2C1=CC1(C)CCC(C(C)C)=C1C(O)C(O)C2C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.53 | Num_heavy_atoms: | 26 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
