Glycoside
...
GD129135

Name:
None

Formula:
C66H104O31S3

Smiles:
C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC(C)=CC=CCCOC(=O)CC=CCCC(O)C(O)C(CC(O)C(OS(=O)(=O)O)C(O)COS(=O)(=O)O)OS(=O)(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C

Aglycone:
C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC(C)=CC=CCCOC(=O)CC=CCCC(O)C(O)C(C)OS(=O)(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C

Sugarmoiety:
O=S(=O)(O)OCC(O)C(OS(=O)(=O)O)C(O)O

Other Identifiers

Properties
HBA: 31 RingCount: 7
HBD: 11 FractionCSP3: 0.79
AlogP: 3.86 Num_rotatable_bonds: 34
MolWt: 1489.73 Num_heavy_atoms: 100
TPSA: 469.85 NumAromaticRings: 0

Unique Aglycone
AD52307
Formula: C62H96O21S

Smiles:
C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)OCC(C)=CC=CCCOC(=O)CC=CCCC(O)C(O)C(C)OS(=O)(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C
HBA: 21 RingCount: 7
HBD: 7 FractionCSP3: 0.77
AlogP: 6.76 Num_rotatable_bonds: 25
MolWt: 1209.5 Num_heavy_atoms: 84
TPSA: 302.19 NumAromaticRings: 0

Sugarmoiety
SD05807

O=S(=O)(O)OCC(O)C(OS(=O)(=O)O)C(O)O