Glycoside
GD101680
Name:
NoneFormula:
C22H24O5N7ClSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(Cl)c(C(=O)N(C)C)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CN(C)C(=O)c1cc(Nc2ncnc3c2N=C[N]3)ccc1ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.92 | Num_heavy_atoms: | 34 |
| TPSA: | 154.73 | 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 |
AD43051
Formula: C15H12ON6Cl
Smiles:
CN(C)C(=O)c1cc(Nc2ncnc3c2N=C[N]3)ccc1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.74 | Num_heavy_atoms: | 22 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
