Glycoside
GD003862
Name:
NoneFormula:
C35H36O6N9FSSmiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCN=C(S)Nc1ccc(F)cc1Aglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc(F)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 729.79 | Num_heavy_atoms: | 52 |
| TPSA: | 208.14 | NumAromaticRings: | 5 |
Unique Aglycone
AD03443
Formula: C30H27O2N9FS
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc(F)cc1| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 596.67 | Num_heavy_atoms: | 43 |
| TPSA: | 146.86 | NumAromaticRings: | 4 |
