Glycoside
GD152642
Name:
noracalyphinFormula:
C13H18O9N2Smiles:
COC1=CC(O)=NC(O)C1(C#N)OC1OC(CO)C(O)C(O)C1OAglycone:
COC1=CC(O)=NC(O)C1(O)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.29 | Num_heavy_atoms: | 24 |
| TPSA: | 185.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD49306
Formula: C7H8O4N2
Smiles:
COC1=CC(O)=NC(O)C1(O)C#N| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 106.07 | NumAromaticRings: | 0 |
