Glycoside
...
GD071335

Name:
None

Formula:
C14H24O8N2S

Smiles:
C[C@@H](Cc1cccnc1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC(N)Cc1cccnc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.64
AlogP: -0.43 Num_rotatable_bonds: 7
MolWt: 380.42 Num_heavy_atoms: 25
TPSA: 164.76 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
AD25019
Formula: C8H12N2

Smiles:
CC(N)Cc1cccnc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 0.97 Num_rotatable_bonds: 2
MolWt: 136.2 Num_heavy_atoms: 10
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00017

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