Glycoside
GD030599
Name:
NoneFormula:
C35H32O6N9F5SSmiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NCCN=C(S)Nc1c(F)c(F)c(F)c(F)c1FAglycone:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1c(F)c(F)c(F)c(F)c1FSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 801.75 | Num_heavy_atoms: | 56 |
| TPSA: | 208.14 | NumAromaticRings: | 5 |
Unique Aglycone
AD19797
Formula: C30H23O2N9F5S
Smiles:
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1c(F)c(F)c(F)c(F)c1F| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 668.63 | Num_heavy_atoms: | 47 |
| TPSA: | 146.86 | NumAromaticRings: | 4 |
