Glycoside
...
GD026740

Name:
{6-hydroxy-8-methyl-3-[(3,4,5-trihydroxy-6-{[(4-hydroxy-3-methoxyphenyl)methoxy]methyl}oxan-2-yl)oxy]-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decan-2-yl}methyl benzoate

Formula:
C31H36O13

Smiles:
COc1cc(COC[C@@H]2O[C@H](O[C@@]34C[C@@H]5[C@@]3(COC(=O)c3ccccc3)[C@@H]3O[C@@]4(C)C[C@@]5(O)O3)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O.COCc1ccc(O)c(OC)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 9
HBD: 5 FractionCSP3: 0.58
AlogP: 0.58 Num_rotatable_bonds: 10
MolWt: 616.62 Num_heavy_atoms: 44
TPSA: 182.83 NumAromaticRings: 2

Unique Aglycone
AD00766
Formula: C17H18O6

Smiles:
CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O
HBA: 6 RingCount: 7
HBD: 2 FractionCSP3: 0.59
AlogP: 0.82 Num_rotatable_bonds: 3
MolWt: 318.33 Num_heavy_atoms: 23
TPSA: 85.22 NumAromaticRings: 1
AD09077
Formula: C9H12O3

Smiles:
COCc1ccc(O)c(OC)c1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: 1.55 Num_rotatable_bonds: 3
MolWt: 168.19 Num_heavy_atoms: 12
TPSA: 38.69 NumAromaticRings: 1

Sugarmoiety
SD00017

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