Glycoside
...
GD033845

Name:
SCORZONERIC ACID

Formula:
C29H36O12

Smiles:
CCCCCC(=O)O[C@@H]1[C@H](Oc2cc(CC(=O)CCc3ccc(O)cc3)c(O)c(C(=O)O)c2)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CCCCCC(=O)O.O=C(CCc1ccc(O)cc1)Cc1cc(O)cc(C(=O)O)c1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.48
AlogP: 1.85 Num_rotatable_bonds: 14
MolWt: 576.6 Num_heavy_atoms: 41
TPSA: 200.28 NumAromaticRings: 2

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD21577
Formula: C17H16O6

Smiles:
O=C(CCc1ccc(O)cc1)Cc1cc(O)cc(C(=O)O)c1O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.18
AlogP: 2.25 Num_rotatable_bonds: 6
MolWt: 316.31 Num_heavy_atoms: 23
TPSA: 115.06 NumAromaticRings: 2

Sugarmoiety
SD00003

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