Glycoside
GD099034
Name:
NoneFormula:
C20H31O4N8SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCC[NH+]4CCCCC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.S=C(NCC[NH+]1CCCCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 479.59 | Num_heavy_atoms: | 33 |
| TPSA: | 150.89 | 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 |
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 |
