Glycoside
GD004391
Name:
NoneFormula:
C28H26O9N6SSmiles:
COc1ccc2cc(-c3cc4c(nnn4[C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@H](O)[C@H]4O)c(N)n3)ccc2c1Aglycone:
COS(=O)(=O)NC(=O)c1ccccc1O.COc1ccc2cc(-c3cc4c(c(N)n3)N=N[N]4)ccc2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.62 | Num_heavy_atoms: | 44 |
| TPSA: | 221.24 | NumAromaticRings: | 5 |
Unique Aglycone
AD00564
Formula: C8H9O5NS
Smiles:
COS(=O)(=O)NC(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.23 | Num_heavy_atoms: | 15 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
AD03843
Formula: C16H12ON5
Smiles:
COc1ccc2cc(-c3cc4c(c(N)n3)N=N[N]4)ccc2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.31 | Num_heavy_atoms: | 22 |
| TPSA: | 86.96 | NumAromaticRings: | 3 |
