Glycoside
GD001347
Name:
NoneFormula:
C11H14O10N5P2SSmiles:
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)([O-])OP(=O)([O-])[O-].CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.27 | Num_heavy_atoms: | 29 |
| TPSA: | 241.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD00851
Formula: C6H6N5S
Smiles:
CSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 180.22 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01377
Formula: CH3O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])[O-]| HBA: | 7 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 188.98 | Num_heavy_atoms: | 10 |
| TPSA: | 121.78 | NumAromaticRings: | 0 |
