Glycoside
...
GD106520

Name:
None

Formula:
C24H32O12N2S

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.CS(=O)(=O)N(CC(N)=O)Cc1ccccc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.54
AlogP: -0.35 Num_rotatable_bonds: 11
MolWt: 572.59 Num_heavy_atoms: 39
TPSA: 180.91 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
AD44185
Formula: C10H14O3N2S

Smiles:
CS(=O)(=O)N(CC(N)=O)Cc1ccccc1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.3
AlogP: -0.07 Num_rotatable_bonds: 5
MolWt: 242.3 Num_heavy_atoms: 16
TPSA: 80.47 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O