Glycoside
GD013707
Name:
NoneFormula:
C25H30O7N8SSmiles:
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@H](O)[C@H]2O)cc1Aglycone:
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 586.63 | Num_heavy_atoms: | 41 |
| TPSA: | 200.9 | NumAromaticRings: | 3 |
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 |
AD10184
Formula: C18H18O3N7S
Smiles:
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.46 | Num_heavy_atoms: | 29 |
| TPSA: | 130.75 | NumAromaticRings: | 2 |
