Glycoside
...
GD096970

Name:
None

Formula:
C20H37O11NS

Smiles:
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC1CCC(C(C)C)C(OC(=O)CCC(N)=O)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.9
AlogP: 0.85 Num_rotatable_bonds: 9
MolWt: 499.58 Num_heavy_atoms: 33
TPSA: 195.24 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
AD37580
Formula: C14H25O3N

Smiles:
CC1CCC(C(C)C)C(OC(=O)CCC(N)=O)C1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.86
AlogP: 2.26 Num_rotatable_bonds: 5
MolWt: 255.36 Num_heavy_atoms: 18
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00017

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