Glycoside
...
GD096145

Name:
None

Formula:
C20H27O10N2S

Smiles:
COC(=O)c1ccc(-c2ccc(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)[nH+]c2C)cc1

Aglycone:
COC(=O)c1ccc(-c2ccc(N)[nH+]c2C)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.4
AlogP: 0.64 Num_rotatable_bonds: 7
MolWt: 487.51 Num_heavy_atoms: 33
TPSA: 192.31 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD40896
Formula: C14H15O2N2

Smiles:
COC(=O)c1ccc(-c2ccc(N)[nH+]c2C)cc1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.14
AlogP: 1.84 Num_rotatable_bonds: 2
MolWt: 243.29 Num_heavy_atoms: 18
TPSA: 66.46 NumAromaticRings: 2

Sugarmoiety
SD00017

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