Glycoside
GD056143
Name:
NoneFormula:
C14H22O7N2Smiles:
CCCc1onc(C)c1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCCc1onc(C)c1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 330.34 | Num_heavy_atoms: | 23 |
| TPSA: | 145.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD28225
Formula: C8H12O2N2
Smiles:
CCCc1onc(C)c1C(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.2 | Num_heavy_atoms: | 12 |
| TPSA: | 69.12 | NumAromaticRings: | 1 |
