Glycoside
GD017311
Name:
NoneFormula:
C11H20O13N5P3SSmiles:
CSc1nc(N)c2c(n1)N([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O)CN2Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.CSc1nc(N)c2c(n1)NCN2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 555.29 | Num_heavy_atoms: | 33 |
| TPSA: | 276.58 | NumAromaticRings: | 1 |
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 |
AD07866
Formula: C6H9N5S
Smiles:
CSc1nc(N)c2c(n1)NCN2| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 183.24 | Num_heavy_atoms: | 12 |
| TPSA: | 75.86 | NumAromaticRings: | 1 |
