Glycoside
GD057205
Name:
NoneFormula:
C13H18O7N4Smiles:
O=C1CCC(=O)N1Cc1cn(C[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(CN2C(=O)CCC2=O)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.31 | Num_heavy_atoms: | 24 |
| TPSA: | 158.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD28717
Formula: C8H10O2N4
Smiles:
Cn1cc(CN2C(=O)CCC2=O)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 68.09 | NumAromaticRings: | 1 |
