Glycoside
...
GD131969

Name:
3,4,5-trihydroxy-6-{[7-hydroxy-6-(1-hydroxy-2,3-dimethylbutyl)-7,9,13-trimethyl-19-(sulfooxy)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-11-en-16-yl]oxy}oxane-2-carboxylic acid

Formula:
C34H54O14S

Smiles:
CC(C)C(C)C(O)C1OC2CC3C4CC(OS(=O)(=O)O)C5CC(OC6OC(C(=O)O)C(O)C(O)C6O)CCC5(C)C4=CCC3(C)C2C1(C)O

Aglycone:
CC(C)C(C)C(O)C1OC2CC3C4CC(OS(=O)(=O)O)C5CC(O)CCC5(C)C4=CCC3(C)C2C1(C)O

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.91
AlogP: 1.42 Num_rotatable_bonds: 8
MolWt: 718.86 Num_heavy_atoms: 49
TPSA: 229.74 NumAromaticRings: 0

Unique Aglycone
AD53436
Formula: C28H46O8S

Smiles:
CC(C)C(C)C(O)C1OC2CC3C4CC(OS(=O)(=O)O)C5CC(O)CCC5(C)C4=CCC3(C)C2C1(C)O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.93
AlogP: 3.51 Num_rotatable_bonds: 5
MolWt: 542.74 Num_heavy_atoms: 37
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O