Glycoside
...
GD014960

Name:
None

Formula:
C19H28O20N2S4

Smiles:
CC(=O)N(CC(=O)NCCO[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O)Cc1ccccc1

Aglycone:
CC(=O)N(CC(=O)NCCO)Cc1ccccc1.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 2
HBD: 5 FractionCSP3: 0.58
AlogP: -2.72 Num_rotatable_bonds: 17
MolWt: 732.7 Num_heavy_atoms: 45
TPSA: 322.27 NumAromaticRings: 1

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD10947
Formula: C13H18O3N2

Smiles:
CC(=O)N(CC(=O)NCCO)Cc1ccccc1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 0.14 Num_rotatable_bonds: 6
MolWt: 250.3 Num_heavy_atoms: 18
TPSA: 69.64 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O