Glycoside
...
GD013323

Name:
None

Formula:
C18H26O16N2S3

Smiles:
CO[C@@H]1O[C@H](CNC(=O)CN(Cc2ccccc2)C(C)=O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:
CNC(=O)CN(Cc1ccccc1)C(C)=O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 2
HBD: 4 FractionCSP3: 0.56
AlogP: -1.91 Num_rotatable_bonds: 13
MolWt: 622.61 Num_heavy_atoms: 39
TPSA: 258.67 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
AD09963
Formula: C12H16O2N2

Smiles:
CNC(=O)CN(Cc1ccccc1)C(C)=O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: 0.78 Num_rotatable_bonds: 4
MolWt: 220.27 Num_heavy_atoms: 16
TPSA: 49.41 NumAromaticRings: 1

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O