Glycoside
GD016158
Name:
NoneFormula:
C14H23O15N6P3SSmiles:
Nc1ncnc2c1nc(SCCC(N)C(=O)O)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(SCCC(N)C(=O)O)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 13 |
| MolWt: | 640.35 | Num_heavy_atoms: | 39 |
| TPSA: | 342.45 | 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 |
AD11672
Formula: C9H11O2N6S
Smiles:
Nc1ncnc2c1N=C(SCCC(N)C(=O)O)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 267.29 | Num_heavy_atoms: | 18 |
| TPSA: | 141.58 | NumAromaticRings: | 1 |
