Glycoside
GD019079
Name:
NoneFormula:
C21H26O7N8SSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NCC)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.56 | Num_heavy_atoms: | 37 |
| TPSA: | 209.69 | 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 |
AD13364
Formula: C14H14O3N7S
Smiles:
CCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.38 | Num_heavy_atoms: | 25 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
