Glycoside
GD099033
Name:
NoneFormula:
C21H34O5N7SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCC[NH+]3CCCCC3)ncnc21Aglycone:
COCCO.S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 496.61 | Num_heavy_atoms: | 34 |
| TPSA: | 140.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD40197
Formula: C13H19N7S
Smiles:
S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.41 | Num_heavy_atoms: | 21 |
| TPSA: | 80.74 | NumAromaticRings: | 1 |
