Glycoside
GD114286
Name:
Ixerisoside HFormula:
C35H48O14Smiles:
C=C1C(=O)OC2C1CCC1(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(COC3OC(CO)C(O)C(O)C3O)C21Aglycone:
C=C1C(=O)OC2C1CCC1(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(CO)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 692.76 | Num_heavy_atoms: | 49 |
| TPSA: | 218.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD44957
Formula: C29H38O9
Smiles:
C=C1C(=O)OC2C1CCC1(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(CO)C21| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.61 | Num_heavy_atoms: | 38 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
