Glycoside
GD118270
Name:
Ixerisoside MFormula:
C30H38O12Smiles:
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: | 0.6 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.62 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD47273
Formula: C24H28O7
Smiles:
C=C1C(=O)OC2C1CCC1(C)C(OC(=O)C(O)Cc3ccc(O)cc3)CCC(=CO)C21| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.48 | Num_heavy_atoms: | 31 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
