Glycoside

GD012041
Name:
NoneFormula:
C20H24O10N4SSmiles:
CC(=O)O[C@H]1COC(OCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 14 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.45 |
AlogP: | -0.42 | Num_rotatable_bonds: | 8 |
MolWt: | 512.5 | Num_heavy_atoms: | 35 |
TPSA: | 188.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD07214
Formula: C9H10O3N4S
Smiles:
NS(=O)(=O)c1ccc(-n2cc(CO)nn2)cc1HBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.11 |
AlogP: | -0.59 | Num_rotatable_bonds: | 3 |
MolWt: | 254.27 | Num_heavy_atoms: | 17 |
TPSA: | 111.1 | NumAromaticRings: | 2 |