Glycoside
...
GD025718

Name:
ROBUSTASIDE G

Formula:
C31H30O13

Smiles:
O=C1C=CC(O)(C=CC(=O)OC[C@@H]2O[C@H](Oc3ccc(O)cc3)[C@H](OC(=O)C=CCC3(O)C=CC(=O)C=C3)[C@H](O)[C@H]2O)C=C1

Aglycone:
COC(=O)C=CC1(O)C=CC(=O)C=C1.O=C(O)C=CCC1(O)C=CC(=O)C=C1.Oc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.29
AlogP: 0.03 Num_rotatable_bonds: 10
MolWt: 610.57 Num_heavy_atoms: 44
TPSA: 206.35 NumAromaticRings: 1

Unique Aglycone
AD00519
Formula: C6H6O2

Smiles:
Oc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.1 Num_rotatable_bonds: 0
MolWt: 110.11 Num_heavy_atoms: 8
TPSA: 40.46 NumAromaticRings: 1
AD02238
Formula: C10H10O4

Smiles:
COC(=O)C=CC1(O)C=CC(=O)C=C1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.2
AlogP: 0.14 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 63.6 NumAromaticRings: 0
AD17023
Formula: C10H10O4

Smiles:
O=C(O)C=CCC1(O)C=CC(=O)C=C1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 0.44 Num_rotatable_bonds: 3
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00017

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