Glycoside
GD155932
Name:
Ixerisoside GFormula:
C30H40O12Smiles:
C=C1C(=O)OC2C1CCC1(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CCC(COC3OC(CO)C(O)C(O)C3O)C21Aglycone:
C=C1C(=O)OC2C1CCC1(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CCC(CO)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.64 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD61794
Formula: C24H30O7
Smiles:
C=C1C(=O)OC2C1CCC1(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CCC(CO)C21| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.5 | Num_heavy_atoms: | 31 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
