Glycoside
GD142946
Name:
Ixerisoside NFormula:
C27H42O12Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)C(C)C)CCC(=COC3OC(CO)C(O)C(O)C3O)C2C1OAglycone:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)C(C)C)CCC(=CO)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.62 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD57511
Formula: C21H32O7
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)C(C)C)CCC(=CO)C2C1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
