Glycoside
GD002378
Name:
Ixerin HFormula:
C21H32O8Smiles:
CC1=CCCC(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1Aglycone:
CC1=CCCC(CO)=CC2OC(=O)C(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD02274
Formula: C15H22O3
Smiles:
CC1=CCCC(CO)=CC2OC(=O)C(C)C2CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
