Glycoside
GD010608
Name:
NoneFormula:
C34H37O12N6FSSmiles:
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCOC(=O)CCC(=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(CCOC(=O)CCC(=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: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 15 |
| MolWt: | 772.77 | Num_heavy_atoms: | 54 |
| TPSA: | 255.71 | 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 |
AD08171
Formula: C27H29O8N2FS
Smiles:
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCOC(=O)CCC(=O)OC)S(C)(=O)=O)c(C3CC3)cc12| HBA: | 10 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 560.6 | Num_heavy_atoms: | 39 |
| TPSA: | 132.22 | NumAromaticRings: | 3 |
