Glycoside
GD131108
Name:
xylarinonericin cFormula:
C35H48O14Smiles:
COC1=CC(=O)C(OC(=O)C23C(C(C)C)=CC4CC2(C=O)C2CCC(C)C2CC43COC(=O)C2OC(O)C(O)C(OC)C2O)C(C)(O)C1OAglycone:
COC1=CC(=O)C(OC(=O)C23C(C(C)C)=CC4CC2(C=O)C2CCC(C)C2CC43COC=O)C(C)(O)C1OSugarmoiety:
COC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 692.76 | Num_heavy_atoms: | 49 |
| TPSA: | 215.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD53125
Formula: C29H38O9
Smiles:
COC1=CC(=O)C(OC(=O)C23C(C(C)C)=CC4CC2(C=O)C2CCC(C)C2CC43COC=O)C(C)(O)C1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.61 | Num_heavy_atoms: | 38 |
| TPSA: | 136.43 | NumAromaticRings: | 0 |
