Glycoside
...
GD110139

Name:
None

Formula:
C33H34O16

Smiles:
COc1ccc(-c2coc3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)c(OC(C)=O)c3c2=O)cc1OC

Aglycone:
COC(C)=O.COc1ccc(-c2coc3ccc(O)c(OC(C)=O)c3c2=O)cc1OC

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 0 FractionCSP3: 0.39
AlogP: 2.86 Num_rotatable_bonds: 11
MolWt: 686.62 Num_heavy_atoms: 49
TPSA: 198.63 NumAromaticRings: 3

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
AD44618
Formula: C19H16O7

Smiles:
COc1ccc(-c2coc3ccc(O)c(OC(C)=O)c3c2=O)cc1OC
HBA: 7 RingCount: 3
HBD: 1 FractionCSP3: 0.16
AlogP: 3.11 Num_rotatable_bonds: 4
MolWt: 356.33 Num_heavy_atoms: 26
TPSA: 95.2 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O