Glycoside
GD015872
Name:
NoneFormula:
C21H21O4N6ClS2Smiles:
C[C@H](CSc1nc2ccccc2s1)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(CSc1nc2ccccc2s1)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 509.01 | Num_heavy_atoms: | 33 |
| TPSA: | 138.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD11484
Formula: C16H12N6ClS2
Smiles:
CC(CSc1nc2ccccc2s1)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.89 | Num_heavy_atoms: | 24 |
| TPSA: | 77.16 | NumAromaticRings: | 3 |
