Glycoside
GD084671
Name:
NoneFormula:
C18H18O4N7ClSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccncc4Cl)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Clc1cnccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.83 | Num_heavy_atoms: | 29 |
| TPSA: | 147.31 | 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 |
AD37844
Formula: C11H6N6Cl
Smiles:
Clc1cnccc1Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.65 | Num_heavy_atoms: | 17 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
