Glycoside
GD022814
Name:
NoneFormula:
C27H33O5N7SSmiles:
Nc1ccc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2)s1Aglycone:
Nc1ccc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)c2)s1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 567.67 | Num_heavy_atoms: | 40 |
| TPSA: | 180.67 | NumAromaticRings: | 4 |
Unique Aglycone
AD15420
Formula: C22H24ON7S
Smiles:
Nc1ccc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)c2)s1| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 434.55 | Num_heavy_atoms: | 31 |
| TPSA: | 119.39 | NumAromaticRings: | 3 |
