Glycoside
GD024263
Name:
NoneFormula:
C23H30O15N10P3S2Smiles:
CSc1nc(N)c2ncn([C@H]3O[C@@H](COP(=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-])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: | 25 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 14 |
| MolWt: | 843.6 | Num_heavy_atoms: | 53 |
| TPSA: | 386.7 | 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 |
AD16212
Formula: C3H8O9P3
Smiles:
COP(=O)([O-])CP(=O)([O-])OP(=O)([O-])OC| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 281.01 | Num_heavy_atoms: | 15 |
| TPSA: | 148.08 | NumAromaticRings: | 0 |
