Glycoside
...
GD097522

Name:
None

Formula:
C19H28O8N3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2[nH+]c(N3CCCC3)cc3ccccc23)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1[nH+]c(N2CCCC2)cc2ccccc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 8 FractionCSP3: 0.53
AlogP: 0.63 Num_rotatable_bonds: 6
MolWt: 458.51 Num_heavy_atoms: 31
TPSA: 169.25 NumAromaticRings: 2

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
AD41484
Formula: C13H16N3

Smiles:
Nc1[nH+]c(N2CCCC2)cc2ccccc12
HBA: 3 RingCount: 3
HBD: 3 FractionCSP3: 0.31
AlogP: 1.84 Num_rotatable_bonds: 1
MolWt: 214.29 Num_heavy_atoms: 16
TPSA: 43.4 NumAromaticRings: 2

Sugarmoiety
SD00017

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