Glycoside
...
GD017211

Name:
None

Formula:
C33H56O16S3

Smiles:
CC(C)[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](O)[C@H](O)[C@H](C)[C@H]4OS(=O)(=O)O)[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@]4(C)C3=CC[C@@]12C)OS(=O)(=O)O

Aglycone:
CC(C)C(CCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)OS(=O)(=O)O.O=S(=O)(O)O

Sugarmoiety:
CC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 5 FractionCSP3: 0.94
AlogP: 3.87 Num_rotatable_bonds: 13
MolWt: 805.0 Num_heavy_atoms: 52
TPSA: 249.72 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD03326
Formula: C27H46O9S2

Smiles:
CC(C)C(CCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)OS(=O)(=O)O
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 4.98 Num_rotatable_bonds: 9
MolWt: 578.79 Num_heavy_atoms: 38
TPSA: 147.43 NumAromaticRings: 0

Sugarmoiety
SD02127

CC1C(O)C(O)OC(O)C1O