Glycoside
GD146112
Name:
Dysinosin BFormula:
C31H52O15N6SSmiles:
COC(COS(=O)(=O)O)C(O)=NC(C(=O)N1C(C(O)=NCCC2=CCN(C(=N)N)C2)CC2CC(O)C(OC3OC(CO)C(O)C(O)C3O)CC21)C(C)CAglycone:
COC(COS(=O)(=O)O)C(O)=NC(C(=O)N1C(C(O)=NCCC2=CCN(C(=N)N)C2)CC2CC(O)C(O)CC21)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.81 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 15 |
| MolWt: | 780.85 | Num_heavy_atoms: | 53 |
| TPSA: | 331.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD58610
Formula: C25H42O10N6S
Smiles:
COC(COS(=O)(=O)O)C(O)=NC(C(=O)N1C(C(O)=NCCC2=CCN(C(=N)N)C2)CC2CC(O)C(O)CC21)C(C)C| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 12 |
| MolWt: | 618.71 | Num_heavy_atoms: | 42 |
| TPSA: | 251.89 | NumAromaticRings: | 0 |
