Glycoside
...
GD094525

Name:
None

Formula:
C18H27O11NS

Smiles:
CC1(COc2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2)COC1

Aglycone:
CC1(COc2ccc(C(N)=O)cc2)COC1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.61
AlogP: -0.21 Num_rotatable_bonds: 8
MolWt: 465.48 Num_heavy_atoms: 31
TPSA: 187.4 NumAromaticRings: 1

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
AD34702
Formula: C12H15O3N

Smiles:
CC1(COc2ccc(C(N)=O)cc2)COC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 1.2 Num_rotatable_bonds: 4
MolWt: 221.26 Num_heavy_atoms: 16
TPSA: 61.55 NumAromaticRings: 1

Sugarmoiety
SD00017

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