Glycoside
...
GD096995

Name:
None

Formula:
C20H31O9NS

Smiles:
Cc1ccc(C2(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CCCCC2)cc1

Aglycone:
COS(O)(O)O.Cc1ccc(C2(C(N)=O)CCCCC2)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.65
AlogP: 1.28 Num_rotatable_bonds: 6
MolWt: 461.53 Num_heavy_atoms: 31
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
AD36029
Formula: C14H19ON

Smiles:
Cc1ccc(C2(C(N)=O)CCCCC2)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 2.68 Num_rotatable_bonds: 2
MolWt: 217.31 Num_heavy_atoms: 16
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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