Glycoside
...
GD113727

Name:
None

Formula:
C47H40O8S2

Smiles:
O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(SCc1ccccc1)SCc1ccccc1)c1ccccc1

Aglycone:
O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.c1ccc(CSCSCc2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 0 FractionCSP3: 0.15
AlogP: 9.71 Num_rotatable_bonds: 18
MolWt: 796.96 Num_heavy_atoms: 57
TPSA: 105.2 NumAromaticRings: 6

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
AD17557
Formula: C15H16S2

Smiles:
c1ccc(CSCSCc2ccccc2)cc1
HBA: 0 RingCount: 2
HBD: 0 FractionCSP3: 0.2
AlogP: 4.81 Num_rotatable_bonds: 6
MolWt: 260.43 Num_heavy_atoms: 17
TPSA: 0.0 NumAromaticRings: 2

Sugarmoiety
SD00107

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