Glycoside
GD005047
Name:
NoneFormula:
C21H24O4N7ClSmiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(NCCc4ccc(Cl)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCc2ccc(Cl)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.91 | Num_heavy_atoms: | 32 |
| TPSA: | 160.44 | 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 |
AD04324
Formula: C14H12N6Cl
Smiles:
Nc1nc(NCCc2ccc(Cl)cc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 287.73 | Num_heavy_atoms: | 20 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
