Glycoside
GD013766
Name:
NoneFormula:
C20H20O5N7ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NNC(=O)c4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(NNc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.87 | Num_heavy_atoms: | 32 |
| TPSA: | 163.52 | 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 |
AD10221
Formula: C13H8ON6Cl
Smiles:
O=C(NNc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 287.69 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
