Glycoside
...
GD094209

Name:
None

Formula:
C19H27O10NS

Smiles:
O=C1CCC(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)(c2ccccc2)CC1

Aglycone:
COS(O)(O)O.NC(=O)C1(c2ccccc2)CCC(=O)CC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.58
AlogP: 0.15 Num_rotatable_bonds: 6
MolWt: 461.49 Num_heavy_atoms: 31
TPSA: 186.01 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
AD34550
Formula: C13H15O2N

Smiles:
NC(=O)C1(c2ccccc2)CCC(=O)CC1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 1.55 Num_rotatable_bonds: 2
MolWt: 217.27 Num_heavy_atoms: 16
TPSA: 60.16 NumAromaticRings: 1

Sugarmoiety
SD00017

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