Glycoside
GD027504
Name:
NoneFormula:
C20H24O6N6SSmiles:
NS(=O)(=O)CC[C@@H]1O[C@H](n2cnc3c(N[C@@H]4c5ccccc5C[C@H]4O)ncnc32)[C@H](O)[C@H]1OAglycone:
CCS(N)(=O)=O.OC1Cc2ccccc2C1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 185.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD10834
Formula: C2H7O2NS
Smiles:
CCS(N)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
AD18075
Formula: C14H12ON5
Smiles:
OC1Cc2ccccc2C1Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.28 | Num_heavy_atoms: | 20 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
