Glycoside
GD022393
Name:
NoneFormula:
C15H21O13N6P3Smiles:
C[C@]1(O)[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cc(-c2cn[nH]c2)c2c(N)ncnc21Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1C(c1cn[nH]c1)=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 586.28 | Num_heavy_atoms: | 37 |
| TPSA: | 294.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD05259
Formula: C9H7N6
Smiles:
Nc1ncnc2c1C(c1cn[nH]c1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.2 | Num_heavy_atoms: | 15 |
| TPSA: | 94.58 | NumAromaticRings: | 2 |
