Glycoside
...
GD094100

Name:
None

Formula:
C20H30O10N2S

Smiles:
Cc1ccc(C(=O)N2CCC(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)cc1

Aglycone:
COS(O)(O)O.Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: -0.07 Num_rotatable_bonds: 6
MolWt: 490.53 Num_heavy_atoms: 33
TPSA: 189.25 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
AD36853
Formula: C14H18O2N2

Smiles:
Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.43
AlogP: 1.33 Num_rotatable_bonds: 2
MolWt: 246.31 Num_heavy_atoms: 18
TPSA: 63.4 NumAromaticRings: 1

Sugarmoiety
SD00017

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