Glycoside
...
GD114119

Name:
None

Formula:
C32H48O8S

Smiles:
CCCCCCCCCCCCCCCC(=O)SC[C@H]1O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O

Aglycone:
CCCCCCCCCCCCCCCC(=O)SC.Cc1cc(=O)oc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.69
AlogP: 6.03 Num_rotatable_bonds: 18
MolWt: 592.8 Num_heavy_atoms: 41
TPSA: 126.43 NumAromaticRings: 2

Unique Aglycone
AD00685
Formula: C10H8O3

Smiles:
Cc1cc(=O)oc2cc(O)ccc12
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.1
AlogP: 1.81 Num_rotatable_bonds: 0
MolWt: 176.17 Num_heavy_atoms: 13
TPSA: 50.44 NumAromaticRings: 2
AD44850
Formula: C17H34OS

Smiles:
CCCCCCCCCCCCCCCC(=O)SC
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 6.36 Num_rotatable_bonds: 14
MolWt: 286.52 Num_heavy_atoms: 19
TPSA: 17.07 NumAromaticRings: 0

Sugarmoiety
SD00017

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