Glycoside
...
GD014386

Name:
BELALLOSIDE A

Formula:
C23H26O11

Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3ccc(C(C)=O)cc3OC)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(C(C)=O)ccc1O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.39
AlogP: 0.66 Num_rotatable_bonds: 8
MolWt: 478.45 Num_heavy_atoms: 34
TPSA: 161.21 NumAromaticRings: 2

Unique Aglycone
AD00095
Formula: C9H10O4

Smiles:
COC(=O)c1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.19 Num_rotatable_bonds: 2
MolWt: 182.17 Num_heavy_atoms: 13
TPSA: 55.76 NumAromaticRings: 1
AD01258
Formula: C9H10O3

Smiles:
COc1cc(C(C)=O)ccc1O
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 46.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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