Glycoside
...
GD112642

Name:
None

Formula:
C31H34O8S2

Smiles:
CCSC(SCC)[C@@H](O)[C@H](O)[C@H](OC(=O)c1ccccc1)[C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1

Aglycone:
CCSCSCC.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

Sugarmoiety:
OOCC(OO)C(OO)C(O)C(O)O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.32
AlogP: 4.85 Num_rotatable_bonds: 15
MolWt: 598.74 Num_heavy_atoms: 41
TPSA: 119.36 NumAromaticRings: 3

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD17625
Formula: C5H12S2

Smiles:
CCSCSCC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 2.45 Num_rotatable_bonds: 4
MolWt: 136.29 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 0

Sugarmoiety
SD04269

OOCC(OO)C(OO)C(O)C(O)O