Glycoside
GD093884
Name:
NoneFormula:
C20H31O5N8SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCC[NH+]4CCOCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.59 | Num_heavy_atoms: | 34 |
| TPSA: | 160.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD40474
Formula: C13H19ON7S
Smiles:
S=C(NCCC[NH+]1CCOCC1)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 321.41 | Num_heavy_atoms: | 22 |
| TPSA: | 89.97 | NumAromaticRings: | 1 |
