Glycoside
GD007395
Name:
NoneFormula:
C43H43O6N8F3SSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCCCCCCNC(=O)c4ccc(-c5sc(N)c(C(=O)c6ccccc6)c5-c5cccc(C(F)(F)F)c5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 6.21 | Num_rotatable_bonds: | 16 |
| MolWt: | 856.93 | Num_heavy_atoms: | 61 |
| TPSA: | 206.61 | NumAromaticRings: | 6 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD00765
Formula: C36H31O2N7F3S
Smiles:
Nc1sc(-c2ccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 682.75 | Num_heavy_atoms: | 49 |
| TPSA: | 136.46 | NumAromaticRings: | 5 |
