Glycoside
GD034254
Name:
NoneFormula:
C19H26O17N7P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)C[C@H]2OP(=O)(O)OP(=O)(O)O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=c1ccn(C2CC(OP(=O)(O)OP(=O)(O)O)C(COP(=O)(O)O)O2)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 717.37 | Num_heavy_atoms: | 46 |
| TPSA: | 352.45 | 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 |
AD21793
Formula: C9H15O14N2P3
Smiles:
O=c1ccn(C2CC(OP(=O)(O)OP(=O)(O)O)C(COP(=O)(O)O)O2)c(=O)[nH]1| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.14 | Num_heavy_atoms: | 28 |
| TPSA: | 244.14 | NumAromaticRings: | 1 |
