Glycoside
GD128358
Name:
Ixerisoside LFormula:
C36H52O16Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(O)(COC3OC(CO)C(O)C(O)C3O)C2C1OAglycone:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(O)(CO)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 740.8 | Num_heavy_atoms: | 52 |
| TPSA: | 259.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD51990
Formula: C30H42O11
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(Cc3ccc(O)cc3)OC(=O)C(O)C(C)C)CCC(O)(CO)C2C1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 180.05 | NumAromaticRings: | 1 |
