Glycoside
...
GD138778

Name:
Robustaside B

Formula:
C21H22O10

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.Oc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.29
AlogP: 0.25 Num_rotatable_bonds: 6
MolWt: 434.4 Num_heavy_atoms: 31
TPSA: 166.14 NumAromaticRings: 2

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
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00017

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