Glycoside
...
GD001521

Name:
ACETYLGAERTNEROSIDE

Formula:
C28H30O14

Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@@]21C=C(C(O)c2ccc(O)cc2)C(=O)O1

Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)cc2)C(=O)O1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.46
AlogP: -0.75 Num_rotatable_bonds: 7
MolWt: 590.53 Num_heavy_atoms: 42
TPSA: 207.74 NumAromaticRings: 1

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
AD01519
Formula: C20H18O8

Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)cc2)C(=O)O1
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.3
AlogP: 0.86 Num_rotatable_bonds: 3
MolWt: 386.36 Num_heavy_atoms: 28
TPSA: 122.52 NumAromaticRings: 1

Sugarmoiety
SD00017

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