Glycoside
GD124528
Name:
desoxy-pseoudouridimycinFormula:
C17H25O9N7Smiles:
N=C(O)CCC(N=C(O)CNC(=N)O)C(O)=NCC1OC(c2cnc(O)nc2O)C(O)C1OAglycone:
CN=C(O)C(CCC(=N)O)N=C(O)CNC(=N)O.Oc1ccnc(O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 471.43 | Num_heavy_atoms: | 33 |
| TPSA: | 281.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD50310
Formula: C9H17O4N5
Smiles:
CN=C(O)C(CCC(=N)O)N=C(O)CNC(=N)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 259.27 | Num_heavy_atoms: | 18 |
| TPSA: | 165.37 | NumAromaticRings: | 0 |
AD50311
Formula: C4H4O2N2
Smiles:
Oc1ccnc(O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 66.24 | NumAromaticRings: | 1 |
