Glycoside
GD098019
Name:
NoneFormula:
C21H26O6N6SSmiles:
COc1ccc(CCNC(=S)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(CCNC(=S)Nc2ncnc3c2N=C[N]3)cc1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.54 | Num_heavy_atoms: | 34 |
| TPSA: | 156.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD41704
Formula: C16H17O2N6S
Smiles:
COc1ccc(CCNC(=S)Nc2ncnc3c2N=C[N]3)cc1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.42 | Num_heavy_atoms: | 25 |
| TPSA: | 94.76 | NumAromaticRings: | 2 |
