Glycoside
...
GD096582

Name:
None

Formula:
C17H21O9N2ClS

Smiles:
COc1cccc2c(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc(Cl)nc12

Aglycone:
COS(O)(O)O.COc1cccc2c(N)cc(Cl)nc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 1.27 Num_rotatable_bonds: 6
MolWt: 452.87 Num_heavy_atoms: 29
TPSA: 173.99 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
AD33213
Formula: C11H9ON2Cl

Smiles:
COc1cccc2c(N)cc(Cl)nc12
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 2.48 Num_rotatable_bonds: 1
MolWt: 208.65 Num_heavy_atoms: 14
TPSA: 48.14 NumAromaticRings: 2

Sugarmoiety
SD00017

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