Glycoside
...
GD037304

Name:
None

Formula:
C55H84O28S2

Smiles:
CO[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@H](O[C@@H]5CC[C@]6(C)C(CC=C7[C@H]6CC[C@]68C(=O)O[C@](C)(CCC=C(C)C)[C@H]6[C@H](OC(C)=O)C[C@]78C)C5(C)C)OC[C@H](OS(=O)(=O)[O-])[C@H]4O)[C@@H](OS(=O)(=O)[O-])[C@H]3O)OC[C@H]2O)O[C@H](CO)[C@H]1O

Aglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCC=C(C)C)C13.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 7 FractionCSP3: 0.89
AlogP: -0.24 Num_rotatable_bonds: 18
MolWt: 1257.38 Num_heavy_atoms: 85
TPSA: 410.14 NumAromaticRings: 0

Unique Aglycone
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0
AD01190
Formula: C32H48O5

Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CCC=C(C)C)C13
HBA: 5 RingCount: 5
HBD: 1 FractionCSP3: 0.81
AlogP: 6.54 Num_rotatable_bonds: 4
MolWt: 512.73 Num_heavy_atoms: 37
TPSA: 72.83 NumAromaticRings: 0

Sugarmoiety
SD00327

COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O