Glycoside
GD021727
Name:
NoneFormula:
C12H18O6N2Smiles:
CCCn1c(=O)ccn(C2O[C@H](CO)[C@H](O)[C@H]2O)c1=OAglycone:
CCCn1c(=O)cc[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.28 | Num_heavy_atoms: | 20 |
| TPSA: | 113.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD14806
Formula: C7H10O2N2
Smiles:
CCCn1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.17 | Num_heavy_atoms: | 11 |
| TPSA: | 54.86 | NumAromaticRings: | 1 |
