Glycoside
...
GD096551

Name:
None

Formula:
C18H21O10N2ClS

Smiles:
COc1cccc2c(Cl)c(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cnc12

Aglycone:
COS(O)(O)O.COc1cccc2c(Cl)c(C(N)=O)cnc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.41
AlogP: 0.59 Num_rotatable_bonds: 6
MolWt: 480.88 Num_heavy_atoms: 31
TPSA: 191.06 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
AD41050
Formula: C12H9O2N2Cl

Smiles:
COc1cccc2c(Cl)c(C(N)=O)cnc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 236.66 Num_heavy_atoms: 16
TPSA: 65.21 NumAromaticRings: 2

Sugarmoiety
SD00017

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