Glycoside
GD078125
Name:
NoneFormula:
C16H21O3N7SSmiles:
CCn1cc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CSC)[C@@H](O)[C@H]2O)cn1Aglycone:
CCn1cc(Nc2ncnc3c2N=C[N]3)cn1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.46 | Num_heavy_atoms: | 27 |
| TPSA: | 123.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD32387
Formula: C10H10N7
Smiles:
CCn1cc(Nc2ncnc3c2N=C[N]3)cn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.24 | Num_heavy_atoms: | 17 |
| TPSA: | 82.09 | NumAromaticRings: | 2 |
