Glycoside
...
GD113738

Name:
None

Formula:
C44H42O8S3

Smiles:
CCS[C@@H](Sc1ccccc1)[C@@H](SCC)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1

Aglycone:
CCSCC(SCC)Sc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 0 FractionCSP3: 0.23
AlogP: 9.51 Num_rotatable_bonds: 19
MolWt: 795.01 Num_heavy_atoms: 55
TPSA: 105.2 NumAromaticRings: 5

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
AD44827
Formula: C12H18S3

Smiles:
CCSCC(SCC)Sc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.5
AlogP: 4.61 Num_rotatable_bonds: 7
MolWt: 258.48 Num_heavy_atoms: 15
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD00107

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