Glycoside
...
GD097111

Name:
None

Formula:
C20H31O10NS

Smiles:
Cc1cccc(C2(CC(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CCOCC2)c1

Aglycone:
COS(O)(O)O.Cc1cccc(C2(CC(N)=O)CCOCC2)c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.65
AlogP: 0.51 Num_rotatable_bonds: 7
MolWt: 477.53 Num_heavy_atoms: 32
TPSA: 178.17 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
AD41282
Formula: C14H19O2N

Smiles:
Cc1cccc(C2(CC(N)=O)CCOCC2)c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 1.92 Num_rotatable_bonds: 3
MolWt: 233.31 Num_heavy_atoms: 17
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00017

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