Glycoside
...
GD155107

Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-4-(methoxycarbonyl)-7-({[(methylsulfanyl)carbonyl]oxy}methyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxan-2-yl)methyl 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-carboxylate

Formula:
C37H48O23S2

Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(COC(=O)SC)=CC(O)C34)C(O)C(O)C2O)C2C(COC(=O)SC)=CC(O)C12

Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12.COC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 9 FractionCSP3: 0.68
AlogP: -3.11 Num_rotatable_bonds: 13
MolWt: 924.9 Num_heavy_atoms: 62
TPSA: 342.65 NumAromaticRings: 0

Unique Aglycone
AD40430
Formula: C13H16O7S

Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)SC)=CC(O)C12
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.54
AlogP: 0.42 Num_rotatable_bonds: 3
MolWt: 316.33 Num_heavy_atoms: 21
TPSA: 102.29 NumAromaticRings: 0

Sugarmoiety
SD00628

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O