Glycoside
...
GD094304

Name:
None

Formula:
C18H29O13NS

Smiles:
CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
CCOC(=O)C1(C(C)=O)CCC(=O)C(C(N)=O)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.78
AlogP: -1.43 Num_rotatable_bonds: 8
MolWt: 499.49 Num_heavy_atoms: 33
TPSA: 229.38 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
AD36912
Formula: C12H17O5N

Smiles:
CCOC(=O)C1(C(C)=O)CCC(=O)C(C(N)=O)C1
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.67
AlogP: -0.02 Num_rotatable_bonds: 4
MolWt: 255.27 Num_heavy_atoms: 18
TPSA: 103.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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