Glycoside
GD105876
Name:
NoneFormula:
C21H33O13N7P2SSmiles:
NC(=S)C1=CN([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OC.NC(=S)C1=CNC=CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 11 |
| MolWt: | 685.55 | Num_heavy_atoms: | 44 |
| TPSA: | 306.87 | NumAromaticRings: | 2 |
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 |
AD40426
Formula: C2H12O7P2
Smiles:
CO[PH](O)(O)O[PH](O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.06 | Num_heavy_atoms: | 11 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
AD44085
Formula: C6H8N2S
Smiles:
NC(=S)C1=CNC=CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.21 | Num_heavy_atoms: | 9 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
