Glycoside
GD007094
Name:
NoneFormula:
C21H30O17N8P4Smiles:
CC(=O)NC(Cc1ccc(NP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1)C(N)=OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(CC(NC(C)=O)C(N)=O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 16 |
| MolWt: | 790.41 | Num_heavy_atoms: | 50 |
| TPSA: | 389.65 | 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 |
AD05798
Formula: C12H21O14N3P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(CC(NC(C)=O)C(N)=O)cc1| HBA: | 17 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 13 |
| MolWt: | 555.2 | Num_heavy_atoms: | 33 |
| TPSA: | 270.34 | NumAromaticRings: | 1 |
