Glycoside
...
GD027205

Name:
None

Formula:
C24H43O12NS

Smiles:
COC(=O)CCCCCCCCOC1OC(CO)C(OC2SC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O

Aglycone:
COC(=O)CCCCCCCCO.OCC1SC(O)C(O)C(O)C1O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.92
AlogP: -1.61 Num_rotatable_bonds: 15
MolWt: 569.67 Num_heavy_atoms: 38
TPSA: 204.47 NumAromaticRings: 0

Unique Aglycone
AD00264
Formula: C6H12O5S

Smiles:
OCC1SC(O)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 5 FractionCSP3: 1.0
AlogP: -2.5 Num_rotatable_bonds: 1
MolWt: 196.22 Num_heavy_atoms: 12
TPSA: 101.15 NumAromaticRings: 0
AD00933
Formula: C10H20O3

Smiles:
COC(=O)CCCCCCCCO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.9
AlogP: 1.88 Num_rotatable_bonds: 8
MolWt: 188.27 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O