Glycoside
GD019708
Name:
NoneFormula:
C36H36O6N10SSmiles:
N#Cc1ccc(NC(S)=NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4ncn5C4O[C@H](CO)[C@H](O)[C@H]4O)cc3)cc2)cc1Aglycone:
N#Cc1ccc(NC(S)=NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4N=C[N]5)cc3)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 736.82 | Num_heavy_atoms: | 53 |
| TPSA: | 231.93 | NumAromaticRings: | 5 |
Unique Aglycone
AD13722
Formula: C31H27O2N10S
Smiles:
N#Cc1ccc(NC(S)=NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4N=C[N]5)cc3)cc2)cc1| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 603.69 | Num_heavy_atoms: | 44 |
| TPSA: | 170.65 | NumAromaticRings: | 4 |
