Glycoside
GD004285
Name:
NoneFormula:
C10H15O10N5P2SSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=S)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=S)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.27 | Num_heavy_atoms: | 28 |
| TPSA: | 235.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD03762
Formula: C5H4N5S
Smiles:
Nc1nc2c(c(=S)[nH]1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.19 | Num_heavy_atoms: | 11 |
| TPSA: | 81.16 | NumAromaticRings: | 1 |
