Glycoside
GD012573
Name:
NoneFormula:
C14H24O14N5P3SSmiles:
Nc1ncnc2c1nc(SCCCCO)n2[C@@H]1O[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(SCCCCO)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 611.36 | Num_heavy_atoms: | 37 |
| TPSA: | 299.36 | 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 |
AD09472
Formula: C9H12ON5S
Smiles:
Nc1ncnc2c1N=C(SCCCCO)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.3 | Num_heavy_atoms: | 16 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
