Glycoside
GD007983
Name:
NoneFormula:
C23H30O7N8SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCN(CC)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: | 0.43 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.61 | Num_heavy_atoms: | 39 |
| 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 |
AD06435
Formula: C16H18O3N7S
Smiles:
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.43 | Num_heavy_atoms: | 27 |
| TPSA: | 130.75 | NumAromaticRings: | 2 |
