Glycoside
GD056668
Name:
NoneFormula:
C14H21O6N3Smiles:
O=c1c(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccnn1CC1CC1Aglycone:
Nc1ccnn(CC2CC2)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.34 | Num_heavy_atoms: | 23 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD28480
Formula: C8H11ON3
Smiles:
Nc1ccnn(CC2CC2)c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.2 | Num_heavy_atoms: | 12 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
