Glycoside
...
GD094498

Name:
None

Formula:
C18H22O12N2S

Smiles:
COC(=O)c1cc(-c2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2)on1

Aglycone:
COC(=O)c1cc(-c2ccc(C(N)=O)cc2)on1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.39
AlogP: -0.18 Num_rotatable_bonds: 7
MolWt: 490.44 Num_heavy_atoms: 33
TPSA: 221.27 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
AD36976
Formula: C12H10O4N2

Smiles:
COC(=O)c1cc(-c2ccc(C(N)=O)cc2)on1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 1.23 Num_rotatable_bonds: 3
MolWt: 246.22 Num_heavy_atoms: 18
TPSA: 95.42 NumAromaticRings: 2

Sugarmoiety
SD00017

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