Glycoside
GD135134
Name:
2-{1-[3-hydroxy-5-(hydroxymethyl)-4-(phosphonooxy)oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}acetic acidFormula:
C11H15O11N2PSmiles:
O=C(O)Cc1cn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)nc1OAglycone:
O=C(O)Cc1c[nH]c(=O)nc1O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.22 | Num_heavy_atoms: | 25 |
| TPSA: | 208.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD54655
Formula: C6H6O4N2
Smiles:
O=C(O)Cc1c[nH]c(=O)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 103.28 | NumAromaticRings: | 1 |
