Glycoside
GD118261
Name:
Pentopyranic AcidFormula:
C10H13O7N3Smiles:
N=c1ccn(C2OC(C(=O)O)C(O)C(O)C2O)c(O)n1Aglycone:
N=C1C=C[N]C(O)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 287.23 | Num_heavy_atoms: | 20 |
| TPSA: | 169.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
