Glycoside
GD103478
Name:
NoneFormula:
C19H29O4N7ClSSmiles:
CC[NH+](CC)CCCNC(=S)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC[NH+](CC)CCCNC(=S)Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 475.0 | Num_heavy_atoms: | 31 |
| TPSA: | 142.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD43819
Formula: C14H20N7ClS
Smiles:
CC[NH+](CC)CCCNC(=S)Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 341.87 | Num_heavy_atoms: | 22 |
| TPSA: | 80.74 | NumAromaticRings: | 1 |
