Glycoside
GD031104
Name:
NoneFormula:
C35H45O4N8ClSmiles:
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1.Clc1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 665.24 | Num_heavy_atoms: | 47 |
| TPSA: | 149.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD00137
Formula: C18H31ON3
Smiles:
CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 305.47 | Num_heavy_atoms: | 22 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
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 |
