Glycoside
...
GD036663

Name:
None

Formula:
C19H30O11S

Smiles:
CC1=CC(=O)CC(C)(C)[C@@]1(O)C=C[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O

Aglycone:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O.O=S(=O)(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.74
AlogP: -0.75 Num_rotatable_bonds: 7
MolWt: 466.51 Num_heavy_atoms: 31
TPSA: 180.05 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
AD07665
Formula: C13H20O3

Smiles:
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.62
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 224.3 Num_heavy_atoms: 16
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O