Glycoside
GD032474
Name:
NoneFormula:
C34H37O6N7SSmiles:
Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1C(=O)c1ccccc1Aglycone:
Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)cc1C(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 14 |
| MolWt: | 671.78 | Num_heavy_atoms: | 48 |
| TPSA: | 197.74 | NumAromaticRings: | 5 |
Unique Aglycone
AD20830
Formula: C29H28O2N7S
Smiles:
Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)cc1C(=O)c1ccccc1| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 538.66 | Num_heavy_atoms: | 39 |
| TPSA: | 136.46 | NumAromaticRings: | 4 |
