Glycoside
...
GD093835

Name:
None

Formula:
C20H31O9N2S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@]12C[C@H](CC[N@@H+]1Cc1ccccc1)C2

Aglycone:
COS(O)(O)O.NC(=O)C12CC(CC[NH+]1Cc1ccccc1)C2

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.65
AlogP: -1.3 Num_rotatable_bonds: 7
MolWt: 475.54 Num_heavy_atoms: 32
TPSA: 173.38 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
AD33712
Formula: C14H19ON2

Smiles:
NC(=O)C12CC(CC[NH+]1Cc1ccccc1)C2
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.5
AlogP: 0.11 Num_rotatable_bonds: 3
MolWt: 231.32 Num_heavy_atoms: 17
TPSA: 47.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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