Glycoside
GD007867
Name:
NoneFormula:
C29H26O6N7ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4cccc(Cl)c4)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1cccc(Cl)c1)Nc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.01 | Num_heavy_atoms: | 42 |
| TPSA: | 183.75 | NumAromaticRings: | 4 |
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 |
AD06359
Formula: C22H14O2N6Cl
Smiles:
O=C(Nc1cccc(Cl)c1)Nc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 417.84 | Num_heavy_atoms: | 30 |
| TPSA: | 113.6 | NumAromaticRings: | 3 |
