Glycoside
...
GD089718

Name:
None

Formula:
C19H29O9NS

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)CCC2)c1

Aglycone:
COS(O)(O)O.Cc1cccc(C2(CC(N)=O)CCC2)c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.63
AlogP: 0.89 Num_rotatable_bonds: 7
MolWt: 447.51 Num_heavy_atoms: 30
TPSA: 168.94 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
AD39098
Formula: C13H17ON

Smiles:
Cc1cccc(C2(CC(N)=O)CCC2)c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.46
AlogP: 2.29 Num_rotatable_bonds: 3
MolWt: 203.28 Num_heavy_atoms: 15
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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