Glycoside
...
GD033801

Name:
{3,4,5-trihydroxy-6-[4-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxan-2-yl}methyl acetate

Formula:
C25H28O13

Smiles:
COc1cc(O)c2c(c1OC)O[C@H](c1cc(O)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O)CC2=O

Aglycone:
COC(C)=O.COc1cc(O)c2c(c1OC)OC(c1cc(O)ccc1O)CC2=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 5 FractionCSP3: 0.44
AlogP: 0.57 Num_rotatable_bonds: 7
MolWt: 536.49 Num_heavy_atoms: 38
TPSA: 190.67 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD15896
Formula: C17H16O7

Smiles:
COc1cc(O)c2c(c1OC)OC(c1cc(O)ccc1O)CC2=O
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.24
AlogP: 2.53 Num_rotatable_bonds: 3
MolWt: 332.31 Num_heavy_atoms: 24
TPSA: 105.45 NumAromaticRings: 2

Sugarmoiety
SD00017

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