Glycoside
...
GD018184

Name:
None

Formula:
C25H45O13NS

Smiles:
CCCCCCCCOC1OC(CO)C(O)C(SC2(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O2)C1O

Aglycone:
CC(=O)NC1C(O)CC(S)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCO

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 9 FractionCSP3: 0.92
AlogP: -1.95 Num_rotatable_bonds: 16
MolWt: 599.7 Num_heavy_atoms: 40
TPSA: 235.7 NumAromaticRings: 0

Unique Aglycone
AD00023
Formula: C8H18O

Smiles:
CCCCCCCCO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 2.34 Num_rotatable_bonds: 6
MolWt: 130.23 Num_heavy_atoms: 9
TPSA: 20.23 NumAromaticRings: 0
AD12876
Formula: C11H19O8NS

Smiles:
CC(=O)NC1C(O)CC(S)(C(=O)O)OC1C(O)C(O)CO
HBA: 9 RingCount: 1
HBD: 6 FractionCSP3: 0.82
AlogP: -2.93 Num_rotatable_bonds: 5
MolWt: 325.34 Num_heavy_atoms: 21
TPSA: 156.55 NumAromaticRings: 0

Sugarmoiety
SD00003

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