Glycoside
...
GD122429

Name:
rubrumoside b

Formula:
C21H22O13

Smiles:
COC(=O)c1cc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)ccc1O

Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COC(=O)c1cc(O)ccc1O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.33
AlogP: -0.66 Num_rotatable_bonds: 6
MolWt: 482.39 Num_heavy_atoms: 34
TPSA: 212.67 NumAromaticRings: 2

Unique Aglycone
AD00121
Formula: C8H8O5

Smiles:
COC(=O)c1cc(O)c(O)c(O)c1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.12
AlogP: 0.59 Num_rotatable_bonds: 1
MolWt: 184.15 Num_heavy_atoms: 13
TPSA: 86.99 NumAromaticRings: 1
AD05089
Formula: C8H8O4

Smiles:
COC(=O)c1cc(O)ccc1O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 0.88 Num_rotatable_bonds: 1
MolWt: 168.15 Num_heavy_atoms: 12
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00017

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