Glycoside
GD034535
Name:
NoneFormula:
C21H18O5N6Cl2Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NC(=O)c4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 481.3 | Num_heavy_atoms: | 32 |
| TPSA: | 151.49 | 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 |
AD21951
Formula: C14H6ON5Cl2
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1Cl| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 307.12 | Num_heavy_atoms: | 20 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
