Glycoside
...
GD071892

Name:
None

Formula:
C15H25O9NS

Smiles:
C[C@@]1(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C[C@@H]2C=C[C@H]1C2

Aglycone:
CC1(C(N)=O)CC2C=CC1C2.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.8
AlogP: -0.33 Num_rotatable_bonds: 5
MolWt: 395.43 Num_heavy_atoms: 26
TPSA: 168.94 NumAromaticRings: 0

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
AD25798
Formula: C9H13ON

Smiles:
CC1(C(N)=O)CC2C=CC1C2
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.67
AlogP: 1.07 Num_rotatable_bonds: 1
MolWt: 151.21 Num_heavy_atoms: 11
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00017

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