Glycoside
GD007248
Name:
NoneFormula:
C23H29O12N6FP2Smiles:
NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](F)[C@H]3O)[C@H](O)[C@H]2O)c1Aglycone:
COP(=O)(O)CP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(F)C1O.NC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 662.46 | Num_heavy_atoms: | 44 |
| TPSA: | 284.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
AD05913
Formula: C12H18O8N5FP2
Smiles:
COP(=O)(O)CP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(F)C1O| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.25 | Num_heavy_atoms: | 28 |
| TPSA: | 192.14 | NumAromaticRings: | 2 |
