Glycoside
...
GD003972

Name:
None

Formula:
C56H86O27S

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](CO)O[C@H](O[C@@H]4[C@H](O[C@@H]5CC[C@]6(C)[C@@H]7CC[C@]89C(=O)O[C@@](C)(C=CC=C(C)C)[C@@]8(O)[C@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@H](COS(=O)(=O)O)[C@H]4O)[C@H](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)(C=CC=C(C)C)C13O.COS(=O)(=O)O

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

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 11 FractionCSP3: 0.86
AlogP: -1.27 Num_rotatable_bonds: 17
MolWt: 1223.34 Num_heavy_atoms: 84
TPSA: 401.57 NumAromaticRings: 0

Unique Aglycone
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD01932
Formula: C32H46O6

Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13O
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.75
AlogP: 5.43 Num_rotatable_bonds: 3
MolWt: 526.71 Num_heavy_atoms: 38
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD00485

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