Glycoside
GD103179
Name:
NoneFormula:
C21H25O7N5SSmiles:
COc1cc(NC(=S)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COc1cc(NC(=S)Nc2ncnc3c2C=C[N]3)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.53 | Num_heavy_atoms: | 34 |
| TPSA: | 152.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD43650
Formula: C16H16O3N5S
Smiles:
COc1cc(NC(=S)Nc2ncnc3c2C=C[N]3)cc(OC)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.4 | Num_heavy_atoms: | 25 |
| TPSA: | 91.63 | NumAromaticRings: | 2 |
