Glycoside
GD011325
Name:
NoneFormula:
C20H22O10N5PSmiles:
O=C(O)CCC(=O)Nc1ccc(-c2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)(O)O.O=C(O)CCC(=O)Nc1ccc(-c2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 523.4 | Num_heavy_atoms: | 36 |
| TPSA: | 226.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD08665
Formula: C15H12O3N5
Smiles:
O=C(O)CCC(=O)Nc1ccc(-c2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 310.29 | Num_heavy_atoms: | 23 |
| TPSA: | 118.64 | NumAromaticRings: | 2 |
