Glycoside
GD153373
Name:
Ixerisoside FFormula:
C31H42O13Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CC=C(COC3OC(CO)C(O)C(O)C3O)C2C1OAglycone:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CC=C(CO)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 622.66 | Num_heavy_atoms: | 44 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD61001
Formula: C25H32O8
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CC=C(CO)C2C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.52 | Num_heavy_atoms: | 33 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
