Glycoside
...
GD025351

Name:
None

Formula:
C30H44O16S2

Smiles:
C=C1C2CC[C@@H]3[C@](CC[C@@H]4[C@H](C(=O)O)C[C@H](O[C@@H]5O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OC(=O)CC(C)C)C[C@]34C)(C2)[C@H]1O

Aglycone:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)C4CCC3(C2)C1O.CC(C)CC(=O)O.O=S(=O)([O-])O.O=S(=O)([O-])O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 0.98 Num_rotatable_bonds: 11
MolWt: 724.8 Num_heavy_atoms: 48
TPSA: 255.38 NumAromaticRings: 0

Unique Aglycone
AD00281
Formula: C5H10O2

Smiles:
CC(C)CC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
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
AD01409
Formula: C19H28O4

Smiles:
C=C1C2CCC3C4(C)CC(O)CC(C(=O)O)C4CCC3(C2)C1O
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.84
AlogP: 2.59 Num_rotatable_bonds: 1
MolWt: 320.43 Num_heavy_atoms: 23
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD00003

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