Glycoside
GD079118
Name:
NoneFormula:
C16H20O9N4Smiles:
CC(=O)Nc1cnn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)n1Aglycone:
CC(=O)Nc1cn[nH]c(=O)n1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.36 | Num_heavy_atoms: | 29 |
| TPSA: | 165.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD36272
Formula: C5H6O2N4
Smiles:
CC(=O)Nc1cn[nH]c(=O)n1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.13 | Num_heavy_atoms: | 11 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
