Glycoside
GD144130
Name:
Ixerin UFormula:
C30H36O12Smiles:
C=C1C(=O)OC2C1CCC(C)(O)C1CC(OC3OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)=C(C)C21Aglycone:
C=C1C(=O)OC2C1CCC(C)(O)C1CC(O)=C(C)C21.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 588.61 | Num_heavy_atoms: | 42 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD57936
Formula: C15H20O4
Smiles:
C=C1C(=O)OC2C1CCC(C)(O)C1CC(O)=C(C)C21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
