Glycoside
GD037936
Name:
5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridineFormula:
C12H17O6N6Smiles:
CC(N=[N+]=N)C(=O)NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OAglycone:
CNC(=O)C(C)N=[N+]=N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 341.3 | Num_heavy_atoms: | 24 |
| TPSA: | 183.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD23784
Formula: C4H9ON4
Smiles:
CNC(=O)C(C)N=[N+]=N| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 129.14 | Num_heavy_atoms: | 9 |
| TPSA: | 79.41 | NumAromaticRings: | 0 |
