Glycoside
...
GD146025

Name:
Matterionate A

Formula:
C30H36O14

Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(OC4OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C4O)c(C)c3O2)cc1

Aglycone:
COC(=O)CC(C)(O)CC(=O)O.COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.5
AlogP: 1.07 Num_rotatable_bonds: 10
MolWt: 620.6 Num_heavy_atoms: 44
TPSA: 218.74 NumAromaticRings: 2

Unique Aglycone
AD01854
Formula: C7H12O5

Smiles:
COC(=O)CC(C)(O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: -0.22 Num_rotatable_bonds: 4
MolWt: 176.17 Num_heavy_atoms: 12
TPSA: 83.83 NumAromaticRings: 0
AD19157
Formula: C18H18O5

Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.28
AlogP: 3.43 Num_rotatable_bonds: 2
MolWt: 314.34 Num_heavy_atoms: 23
TPSA: 75.99 NumAromaticRings: 2

Sugarmoiety
SD00017

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