Glycoside
GD014686
Name:
NoneFormula:
C34H28O9N4SSmiles:
NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)nn2)cc1Aglycone:
COC(=O)c1ccccc1.NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 668.68 | Num_heavy_atoms: | 48 |
| TPSA: | 179.0 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01018
Formula: C8H7O2N4S
Smiles:
NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 223.24 | Num_heavy_atoms: | 15 |
| TPSA: | 98.98 | NumAromaticRings: | 1 |
