Glycoside
GD101072
Name:
NoneFormula:
C22H23O6N5SSmiles:
O=S(=O)(CCc1cccc2ccccc12)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=S(=O)(CCc1cccc2ccccc12)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 485.52 | Num_heavy_atoms: | 34 |
| TPSA: | 159.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD42720
Formula: C17H14O2N5S
Smiles:
O=S(=O)(CCc1cccc2ccccc12)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 352.4 | Num_heavy_atoms: | 25 |
| TPSA: | 98.41 | NumAromaticRings: | 3 |
