Glycoside
...
GD143882

Name:
Myobontioside B

Formula:
C25H30O14

Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3OC=CC4(O)C(O)C5OC5(CO)C34)C(O)C(O)C2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.OCC12OC1C(O)C1(O)C=COC(O)C12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.56
AlogP: -2.5 Num_rotatable_bonds: 8
MolWt: 554.5 Num_heavy_atoms: 39
TPSA: 217.36 NumAromaticRings: 1

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
AD22165
Formula: C9H12O6

Smiles:
OCC12OC1C(O)C1(O)C=COC(O)C12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.78
AlogP: -2.3 Num_rotatable_bonds: 1
MolWt: 216.19 Num_heavy_atoms: 15
TPSA: 102.68 NumAromaticRings: 0

Sugarmoiety
SD00017

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