Glycoside
...
GD025834

Name:
SIEBOLSIDE A

Formula:
C22H24O10

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc(COC(=O)c3ccccc3)ccc2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(C)=O.O=C(OCc1ccc(O)c(O)c1)c1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.36
AlogP: 0.5 Num_rotatable_bonds: 7
MolWt: 448.42 Num_heavy_atoms: 32
TPSA: 151.98 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD01956
Formula: C14H12O4

Smiles:
O=C(OCc1ccc(O)c(O)c1)c1ccccc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.45 Num_rotatable_bonds: 3
MolWt: 244.25 Num_heavy_atoms: 18
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O