Glycoside
...
GD019094

Name:
None

Formula:
C34H50O11N4S

Smiles:
CC(C)CC(=O)OC[C@@H]1O[C@H](n2cc(-c3cccc(S(N)(=O)=O)c3)nn2)[C@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C

Aglycone:
CC(C)CC(=O)O.CC(C)CC(=O)O.CC(C)CC(=O)O.COC(=O)CC(C)C.NS(=O)(=O)c1cccc(C2=C[N]N=N2)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.65
AlogP: 3.95 Num_rotatable_bonds: 16
MolWt: 722.86 Num_heavy_atoms: 50
TPSA: 205.3 NumAromaticRings: 2

Unique Aglycone
AD00281
Formula: C5H10O2

Smiles:
CC(C)CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD01663
Formula: C6H12O2

Smiles:
COC(=O)CC(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0
AD05971
Formula: C8H7O2N4S

Smiles:
NS(=O)(=O)c1cccc(C2=C[N]N=N2)c1
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

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1