Glycoside
...
GD034495

Name:
None

Formula:
C22H32O12NClS2

Smiles:
CC(C)S(=O)(=O)c1csc(C(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2C[C@](O)(CO)C[C@H](O)[C@H]2O)c1Cl

Aglycone:
CC(C)S(=O)(=O)c1csc(C(N)=O)c1Cl.OCC1(O)CC(O)C(O)C(O)C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 8 FractionCSP3: 0.76
AlogP: -2.25 Num_rotatable_bonds: 8
MolWt: 590.07 Num_heavy_atoms: 37
TPSA: 223.31 NumAromaticRings: 1

Unique Aglycone
AD03790
Formula: C7H14O5

Smiles:
OCC1(O)CC(O)C(O)C(O)C1
HBA: 5 RingCount: 1
HBD: 5 FractionCSP3: 1.0
AlogP: -2.41 Num_rotatable_bonds: 1
MolWt: 178.18 Num_heavy_atoms: 12
TPSA: 101.15 NumAromaticRings: 0
AD21925
Formula: C9H10O3NClS2

Smiles:
CC(C)S(=O)(=O)c1csc(C(N)=O)c1Cl
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 1.68 Num_rotatable_bonds: 3
MolWt: 267.76 Num_heavy_atoms: 15
TPSA: 77.23 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O