Glycoside
GD014226
Name:
NoneFormula:
C23H34O18N10P4S2Smiles:
CSc1nc(N)c2ncn([C@H]3O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)CP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)CP(=O)(O)OP(=O)(O)OP(=O)(O)OC.CSc1nc(N)c2c(n1)[N]C=N2.CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 16 |
| MolWt: | 926.61 | Num_heavy_atoms: | 57 |
| TPSA: | 424.74 | NumAromaticRings: | 4 |
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 |
AD10490
Formula: C3H12O12P4
Smiles:
COP(=O)(O)CP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 12 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 364.01 | Num_heavy_atoms: | 19 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
