Glycoside
GD115967
Name:
Seco-AcalyphinFormula:
C13H20O8N2Smiles:
CN=C(O)CC(OC)=C(C#N)OC1OC(CO)C(O)C(O)C1OAglycone:
CN=C(O)CC(OC)=C(O)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 164.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD45965
Formula: C7H10O3N2
Smiles:
CN=C(O)CC(OC)=C(O)C#N| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.17 | Num_heavy_atoms: | 12 |
| TPSA: | 85.84 | NumAromaticRings: | 0 |
