Glycoside
GD022135
Name:
NoneFormula:
C14H20O13N5P3SSmiles:
CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCSc1nc(N)c2c(n1)[N]C=N2.COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 591.33 | Num_heavy_atoms: | 36 |
| TPSA: | 290.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01781
Formula: CH3O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 267.95 | Num_heavy_atoms: | 14 |
| TPSA: | 171.14 | NumAromaticRings: | 0 |
AD03795
Formula: C9H12N5S
Smiles:
CCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.3 | Num_heavy_atoms: | 15 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
