Glycoside
GD101094
Name:
NoneFormula:
C21H23O7N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(C(=O)OC)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.COC(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.46 | Num_heavy_atoms: | 35 |
| TPSA: | 189.82 | 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 |
AD39734
Formula: C14H11O3N6
Smiles:
COC(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.28 | Num_heavy_atoms: | 23 |
| TPSA: | 119.67 | NumAromaticRings: | 2 |
