Glycoside
...
GD154159

Name:
None

Formula:
C40H68O17S

Smiles:
COC1C(OC2C(OCCC(C=CC(C)C3CC(O)C4C3(C)CCC3C5(C)CCC(O)C(O)C5C(OS(=O)(=O)O)CC34O)C(C)C)OCC(O)C2O)OCC(O)C1O

Aglycone:
CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)CCO

Sugarmoiety:
COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 0.29 Num_rotatable_bonds: 13
MolWt: 853.03 Num_heavy_atoms: 58
TPSA: 271.59 NumAromaticRings: 0

Unique Aglycone
AD61267
Formula: C29H50O9S

Smiles:
CC(C)C(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(OS(=O)(=O)O)CC12O)CCO
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.71 Num_rotatable_bonds: 8
MolWt: 574.78 Num_heavy_atoms: 39
TPSA: 164.75 NumAromaticRings: 0

Sugarmoiety
SD00335

COC1C(OC2C(O)OCC(O)C2O)OCC(O)C1O