Glycoside
GD013150
Name:
NoneFormula:
C32H39O5N8ClSmiles:
COc1ccc(NC(=O)NCCCN(C[C@@H]2O[C@H](n3cnc4c(NCc5cccc(Cl)c5)ncnc43)[C@H](O)[C@H]2O)C(C)C)cc1Aglycone:
COc1ccc(NC(=O)NCCCN(C)C(C)C)cc1.Clc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 639.16 | Num_heavy_atoms: | 45 |
| TPSA: | 158.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD02987
Formula: C13H9N5Cl
Smiles:
Clc1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD09849
Formula: C15H25O2N3
Smiles:
COc1ccc(NC(=O)NCCCN(C)C(C)C)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 279.38 | Num_heavy_atoms: | 20 |
| TPSA: | 53.6 | NumAromaticRings: | 1 |
