Glycoside
...
GD012858

Name:
None

Formula:
C31H32O14

Smiles:
COC1C(O[C@@H]2c3c(cc4c(c3O)C(=O)c3c(O)cccc3C4=O)C(=O)[C@@](C)(O)[C@H]2OC)OC(C)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)C1(C)O

Sugarmoiety:
COC1C(O)OC(C)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 3 FractionCSP3: 0.45
AlogP: 1.52 Num_rotatable_bonds: 6
MolWt: 628.58 Num_heavy_atoms: 45
TPSA: 201.42 NumAromaticRings: 2

Unique Aglycone
AD01755
Formula: C20H16O8

Smiles:
COC1C(O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)C(=O)C1(C)O
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.25
AlogP: 0.87 Num_rotatable_bonds: 1
MolWt: 384.34 Num_heavy_atoms: 28
TPSA: 141.36 NumAromaticRings: 2

Sugarmoiety
SD01783

COC1C(O)OC(C)C(OC(C)=O)C1OC(C)=O