Glycoside
GD090631
Name:
NoneFormula:
C18H21O4N7SSmiles:
CNC(=O)c1cc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CSC)[C@@H](O)[C@H]2O)ccn1Aglycone:
CNC(=O)c1cc(Nc2ncnc3c2N=C[N]3)ccn1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.48 | Num_heavy_atoms: | 30 |
| TPSA: | 147.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD39433
Formula: C12H10ON7
Smiles:
CNC(=O)c1cc(Nc2ncnc3c2N=C[N]3)ccn1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.26 | Num_heavy_atoms: | 20 |
| TPSA: | 106.26 | NumAromaticRings: | 2 |
