Glycoside
GD105623
Name:
NoneFormula:
C21H33O16N7P3Smiles:
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](P(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(P(=O)(O)O)C1O.NC(=O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.48 |
| AlogP: | -4.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 732.45 | Num_heavy_atoms: | 47 |
| TPSA: | 361.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00069
Formula: C6H7ON2
Smiles:
NC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.13 | Num_heavy_atoms: | 9 |
| TPSA: | 57.23 | NumAromaticRings: | 1 |
AD44052
Formula: C11H22O12N5P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(P(=O)(O)O)C1O| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 509.24 | Num_heavy_atoms: | 31 |
| TPSA: | 265.22 | NumAromaticRings: | 2 |
