Glycoside
...
GD027994

Name:
None

Formula:
C36H45O20N5S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.NS(=O)(=O)c1ccc(C(=O)NCC2=C[N]N=N2)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 25 RingCount: 4
HBD: 3 FractionCSP3: 0.56
AlogP: -1.35 Num_rotatable_bonds: 16
MolWt: 899.84 Num_heavy_atoms: 62
TPSA: 331.76 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02844
Formula: C10H10O3N5S

Smiles:
NS(=O)(=O)c1ccc(C(=O)NCC2=C[N]N=N2)cc1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.1
AlogP: -0.11 Num_rotatable_bonds: 4
MolWt: 280.29 Num_heavy_atoms: 19
TPSA: 128.08 NumAromaticRings: 1

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O