Glycoside
GD001550
Name:
NoneFormula:
C23H30O7N6SSmiles:
COc1cc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CSCCC(N)C(=O)O)[C@H](O)[C@H]2O)cc(OC)c1Aglycone:
COc1cc(CNc2ncnc3c2N=C[N]3)cc(OC)c1.CSCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 534.6 | Num_heavy_atoms: | 37 |
| TPSA: | 187.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD01545
Formula: C14H14O2N5
Smiles:
COc1cc(CNc2ncnc3c2N=C[N]3)cc(OC)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.3 | Num_heavy_atoms: | 21 |
| TPSA: | 82.73 | NumAromaticRings: | 2 |
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
