Glycoside
GD033319
Name:
NoneFormula:
C18H22O14N5P3SSmiles:
CNc1ccccc1C(=O)O[C@@H]1[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)O[C@H](n2cnc3c(O)ncnc32)[C@H]1OAglycone:
CNc1ccccc1C(=O)O.COP(=O)(O)OP(=O)(O)OP(O)(O)=S.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 657.38 | Num_heavy_atoms: | 41 |
| TPSA: | 274.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00255
Formula: C8H9O2N
Smiles:
CNc1ccccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.33 | NumAromaticRings: | 1 |
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD02456
Formula: CH7O9P3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(O)(O)=S| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
