Glycoside
...
GD010507

Name:
None

Formula:
C33H43O19N3S2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)[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.NC(=S)Nc1ccc(S(N)(=O)=O)cc1

Sugarmoiety:
CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 4 FractionCSP3: 0.58
AlogP: -0.76 Num_rotatable_bonds: 14
MolWt: 849.84 Num_heavy_atoms: 57
TPSA: 296.01 NumAromaticRings: 1

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
AD00153
Formula: C7H9O2N3S2

Smiles:
NC(=S)Nc1ccc(S(N)(=O)=O)cc1
HBA: 5 RingCount: 1
HBD: 5 FractionCSP3: 0.0
AlogP: -0.01 Num_rotatable_bonds: 2
MolWt: 231.3 Num_heavy_atoms: 14
TPSA: 98.21 NumAromaticRings: 1

Sugarmoiety
SD00077

CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O