Glycoside
GD015770
Name:
NoneFormula:
C21H29O14N8P3Smiles:
CC(=O)NC(Cc1ccc(NP(=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)Nc1ccc(CC(NC(C)=O)C(N)=O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.38 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 14 |
| MolWt: | 710.43 | Num_heavy_atoms: | 46 |
| TPSA: | 343.12 | 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 |
AD11422
Formula: C12H20O11N3P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(CC(NC(C)=O)C(N)=O)cc1| HBA: | 14 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 475.22 | Num_heavy_atoms: | 29 |
| TPSA: | 223.81 | NumAromaticRings: | 1 |
