Glycoside
...
GD113690

Name:
None

Formula:
C34H40O7S2

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

Aglycone:
CCSCSCC.c1ccc(C(c2ccccc2)c2ccccc2)cc1

Sugarmoiety:
CC(=O)OC(O)C(OC(C)=O)C(COO)OC(C)=O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 0 FractionCSP3: 0.38
AlogP: 6.62 Num_rotatable_bonds: 16
MolWt: 624.82 Num_heavy_atoms: 43
TPSA: 88.13 NumAromaticRings: 3

Unique Aglycone
AD00424
Formula: C19H16

Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1
HBA: 0 RingCount: 3
HBD: 0 FractionCSP3: 0.05
AlogP: 4.87 Num_rotatable_bonds: 3
MolWt: 244.34 Num_heavy_atoms: 19
TPSA: 0.0 NumAromaticRings: 3
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
SD04286

CC(=O)OC(O)C(OC(C)=O)C(COO)OC(C)=O