Glycoside
...
GD113721

Name:
None

Formula:
C40H42O8S3

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

Aglycone:
CCSCC(SCC)SCC.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 0 FractionCSP3: 0.3
AlogP: 8.47 Num_rotatable_bonds: 19
MolWt: 746.97 Num_heavy_atoms: 51
TPSA: 105.2 NumAromaticRings: 4

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
AD30316
Formula: C8H18S3

Smiles:
CCSCC(SCC)SCC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 3.57 Num_rotatable_bonds: 7
MolWt: 210.43 Num_heavy_atoms: 11
TPSA: 0.0 NumAromaticRings: 0

Sugarmoiety
SD00107

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