Glycoside
...
GD010437

Name:
None

Formula:
C41H72O17S

Smiles:
CO[C@@H]1[C@H](O[C@H]2[C@H](O[C@H](CC[C@H](C)[C@@H]3C[C@H](O)[C@H]4[C@@]3(C)CC[C@H]3[C@@]4(O)[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]43C)C(C)C)O[C@@H]([C@H](C)OS(=O)(=O)O)[C@H]2O)O[C@@H](C)[C@H](OC)[C@@H]1O

Aglycone:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O.CCOS(=O)(=O)O

Sugarmoiety:
COC1C(C)OC(OC2C(O)OC(O)C2O)C(OC)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 8 FractionCSP3: 1.0
AlogP: 1.31 Num_rotatable_bonds: 14
MolWt: 869.08 Num_heavy_atoms: 59
TPSA: 260.59 NumAromaticRings: 0

Unique Aglycone
AD02072
Formula: C27H48O6

Smiles:
CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)C(O)C12O
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 1.0
AlogP: 2.47 Num_rotatable_bonds: 5
MolWt: 468.68 Num_heavy_atoms: 33
TPSA: 121.38 NumAromaticRings: 0
AD06064
Formula: C2H6O4S

Smiles:
CCOS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.17 Num_rotatable_bonds: 2
MolWt: 126.13 Num_heavy_atoms: 7
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00519

COC1C(C)OC(OC2C(O)OC(O)C2O)C(OC)C1O