Glycoside
GD126256
Name:
Ixerin GFormula:
C29H34O11Smiles:
C=C1C(=O)OC2C=C(COC3OC(CO)C(O)C(O)C3OC(=O)Cc3ccc(O)cc3)CCC=C(C=O)CCC12Aglycone:
C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CCC12.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD51076
Formula: C15H18O4
Smiles:
C=C1C(=O)OC2C=C(CO)CCC=C(C=O)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
