Glycoside
GD144085
Name:
NoneFormula:
C31H54O15N6SSmiles:
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: | 12 | FractionCSP3: | 0.84 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 16 |
| MolWt: | 782.87 | Num_heavy_atoms: | 53 |
| TPSA: | 333.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD57921
Formula: C25H44O10N6S
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: | 9 | FractionCSP3: | 0.8 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 620.73 | Num_heavy_atoms: | 42 |
| TPSA: | 254.06 | NumAromaticRings: | 0 |
