Glycoside
GD134030
Name:
NoneFormula:
C22H33O17N10P3Smiles:
COC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N3CN(C)c4c(O)nc(=N)[nH]c43)C(O)C2O)OC1n1cnc2c(N)ncnc21Aglycone:
CN1CNc2[nH]c(=N)nc(O)c21.COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 802.48 | Num_heavy_atoms: | 52 |
| TPSA: | 386.06 | 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 |
AD02306
Formula: C2H9O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.01 | Num_heavy_atoms: | 15 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
AD54225
Formula: C6H9ON5
Smiles:
CN1CNc2[nH]c(=N)nc(O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.17 | Num_heavy_atoms: | 12 |
| TPSA: | 88.03 | NumAromaticRings: | 1 |
