Glycoside
GD028748
Name:
NoneFormula:
C21H23O6N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccc(C(C)=O)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.46 | Num_heavy_atoms: | 34 |
| TPSA: | 180.59 | 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 |
AD18750
Formula: C14H11O2N6
Smiles:
CC(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.28 | Num_heavy_atoms: | 22 |
| TPSA: | 110.44 | NumAromaticRings: | 2 |
