Glycoside
GD127367
Name:
Ixerisoside JFormula:
C27H44O13Smiles:
C=C(C(=O)OC)C1CCC2(C)C(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(O)C(C)C)CCC(O)(CO)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.64 | Num_heavy_atoms: | 40 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD51583
Formula: C21H34O8
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC(=O)C(O)C(C)C)CCC(O)(CO)C2C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.5 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
