Glycoside
...
GD135843

Name:
2-[(benzoyloxy)methyl]-8-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decane-6-sulfonic acid

Formula:
C23H28O13S

Smiles:
CC12CC3([S+](=O)([O-])O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC12CC3([S+](=O)([O-])O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O

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

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 5 FractionCSP3: 0.7
AlogP: -1.25 Num_rotatable_bonds: 7
MolWt: 544.53 Num_heavy_atoms: 37
TPSA: 204.5 NumAromaticRings: 1

Unique Aglycone
AD54923
Formula: C17H18O8S

Smiles:
CC12CC3([S+](=O)([O-])O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O
HBA: 8 RingCount: 7
HBD: 2 FractionCSP3: 0.59
AlogP: 0.93 Num_rotatable_bonds: 4
MolWt: 382.39 Num_heavy_atoms: 26
TPSA: 125.35 NumAromaticRings: 1

Sugarmoiety
SD00003

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