Glycoside
...
GD096215

Name:
None

Formula:
C20H33O8N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](N[C@@H]2C[C@@H]3CC[C@H](C2)[N@H+]3Cc2ccccc2)[C@H]1O

Aglycone:
COS(O)(O)O.NC1CC2CCC(C1)[NH+]2Cc1ccccc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 8 FractionCSP3: 0.7
AlogP: -0.68 Num_rotatable_bonds: 7
MolWt: 461.56 Num_heavy_atoms: 31
TPSA: 156.31 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
AD33654
Formula: C14H21N2

Smiles:
NC1CC2CCC(C1)[NH+]2Cc1ccccc1
HBA: 2 RingCount: 3
HBD: 3 FractionCSP3: 0.57
AlogP: 0.72 Num_rotatable_bonds: 2
MolWt: 217.34 Num_heavy_atoms: 16
TPSA: 30.46 NumAromaticRings: 1

Sugarmoiety
SD00017

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