Glycoside
GD006410
Name:
NoneFormula:
C19H22O7N8SSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.NS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 223.68 | 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 |
AD05314
Formula: C12H10O3N7S
Smiles:
NS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.33 | Num_heavy_atoms: | 23 |
| TPSA: | 153.53 | NumAromaticRings: | 2 |
