Glycoside
...
GD155730

Name:
1-({2,4-dihydroxy-3-[5-hydroxy-7-({[(methylsulfanyl)carbonyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbonyloxy]-5-(hydroxymethyl)cyclohexyl}oxy)-5-hydroxy-7-({[(methylsulfanyl)carbonyl]oxy}methyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C37H48O22S2

Smiles:
CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(OC3CC(CO)C(O)C(OC(=O)C4=COC(OC5OC(CO)C(O)C(O)C5O)C5C(COC(=O)SC)=CC(O)C45)C3O)C12

Aglycone:
CSC(=O)OCC1=CC(O)C2C(C(=O)OC3C(O)C(CO)CC(OC4OC=C(C(=O)O)C5C(O)C=C(COC(=O)SC)C45)C3O)=COC(O)C12

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 10 FractionCSP3: 0.68
AlogP: -2.54 Num_rotatable_bonds: 13
MolWt: 908.9 Num_heavy_atoms: 61
TPSA: 344.42 NumAromaticRings: 0

Unique Aglycone
AD61738
Formula: C31H38O17S2

Smiles:
CSC(=O)OCC1=CC(O)C2C(C(=O)OC3C(O)C(CO)CC(OC4OC=C(C(=O)O)C5C(O)C=C(COC(=O)SC)C45)C3O)=COC(O)C12
HBA: 17 RingCount: 5
HBD: 7 FractionCSP3: 0.61
AlogP: -0.36 Num_rotatable_bonds: 10
MolWt: 746.76 Num_heavy_atoms: 50
TPSA: 265.27 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O