Glycoside
GD031916
Name:
NoneFormula:
C30H34O12N6FPSSmiles:
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCOP(=O)(O)OC[C@@H]3O[C@H](n4cnc(C(N)=O)n4)[C@H](O)[C@H]3O)S(C)(=O)=O)c(C3CC3)cc12Aglycone:
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCOP(=O)(O)OC)S(C)(=O)=O)c(C3CC3)cc12.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 752.67 | Num_heavy_atoms: | 51 |
| TPSA: | 258.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD20521
Formula: C23H26O8N2FPS
Smiles:
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCOP(=O)(O)OC)S(C)(=O)=O)c(C3CC3)cc12| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.51 | Num_heavy_atoms: | 36 |
| TPSA: | 135.38 | NumAromaticRings: | 3 |
