Glycoside
GD053008
Name:
NoneFormula:
C12H14O6N6Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)NCC(=O)O)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCC(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.28 | Num_heavy_atoms: | 24 |
| TPSA: | 185.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD27227
Formula: C3H5O3N
Smiles:
O=CNCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 103.08 | Num_heavy_atoms: | 7 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
