Glycoside
...
GD122187

Name:
None

Formula:
C67H106O30S3

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)CC(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(CCC1C)OCCCC2C

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)CC(C)OS(=O)(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCC1C)OCCCC2C

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

Other Identifiers

Properties
HBA: 30 RingCount: 7
HBD: 10 FractionCSP3: 0.79
AlogP: 5.14 Num_rotatable_bonds: 34
MolWt: 1487.76 Num_heavy_atoms: 100
TPSA: 449.62 NumAromaticRings: 0

Unique Aglycone
AD49219
Formula: C63H98O20S

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)CC(C)OS(=O)(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCC1C)OCCCC2C
HBA: 20 RingCount: 7
HBD: 6 FractionCSP3: 0.78
AlogP: 8.04 Num_rotatable_bonds: 25
MolWt: 1207.52 Num_heavy_atoms: 84
TPSA: 281.96 NumAromaticRings: 0

Sugarmoiety
SD05807

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