Glycoside
GD100878
Name:
NoneFormula:
C20H19O6N6ClSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4cc(Cl)cc(C(=O)O)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=C(O)c1cc(Cl)cc(Nc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.85 | Num_heavy_atoms: | 32 |
| TPSA: | 171.72 | 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 |
AD42621
Formula: C13H7O2N5Cl
Smiles:
O=C(O)c1cc(Cl)cc(Nc2ncnc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.67 | Num_heavy_atoms: | 20 |
| TPSA: | 101.57 | NumAromaticRings: | 2 |
