Glycoside
GD003580
Name:
NoneFormula:
C36H39O7N9SSmiles:
COc1ccc(NC(S)=NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4ncn5C4O[C@H](CO)[C@H](O)[C@H]4O)cc3)cc2)cc1Aglycone:
COc1ccc(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: | 0.28 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 741.83 | Num_heavy_atoms: | 53 |
| TPSA: | 217.37 | NumAromaticRings: | 5 |
Unique Aglycone
AD03239
Formula: C31H30O3N9S
Smiles:
COc1ccc(NC(S)=NCCNC(=O)Cc2ccc(NC(=O)Cc3ccc(Nc4ncnc5c4N=C[N]5)cc3)cc2)cc1| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.16 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 608.71 | Num_heavy_atoms: | 44 |
| TPSA: | 156.09 | NumAromaticRings: | 4 |
