Glycoside
GD024438
Name:
NoneFormula:
C17H28O13N5P3SSmiles:
Nc1ncnc2c1nc(SC1CCCCCC1)n2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C(SC1CCCCCC1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 635.42 | Num_heavy_atoms: | 39 |
| TPSA: | 279.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD16310
Formula: C12H16N5S
Smiles:
Nc1ncnc2c1N=C(SC1CCCCCC1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.36 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
