Glycoside
GD079173
Name:
NoneFormula:
C16H19O6N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)O)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNC(Cc1c[nH+]c[nH]1)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.38 | Num_heavy_atoms: | 30 |
| TPSA: | 215.64 | NumAromaticRings: | 3 |
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 |
AD36281
Formula: C7H10O3N3
Smiles:
O=CNC(Cc1c[nH+]c[nH]1)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.17 | Num_heavy_atoms: | 13 |
| TPSA: | 96.33 | NumAromaticRings: | 1 |
