Glycoside
GD022721
Name:
NoneFormula:
C21H28O7N5PSSmiles:
CC(C)(C)c1ccc(CSc2nc3c(N)ncnc3n2C2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)(C)c1ccc(CSC2=Nc3c(N)ncnc3[N]2)cc1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 525.52 | Num_heavy_atoms: | 35 |
| TPSA: | 186.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD15369
Formula: C16H18N5S
Smiles:
CC(C)(C)c1ccc(CSC2=Nc3c(N)ncnc3[N]2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.42 | Num_heavy_atoms: | 22 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
