Glycoside
GD016684
Name:
NoneFormula:
C23H28O12N4SSmiles:
CO[C@@H]1O[C@H](Cn2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
Cn1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 584.56 | Num_heavy_atoms: | 40 |
| TPSA: | 214.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD03025
Formula: C11H12O4N4S
Smiles:
Cn1cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)nn1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.31 | Num_heavy_atoms: | 20 |
| TPSA: | 117.17 | NumAromaticRings: | 2 |
