Glycoside
...
GD032081

Name:
None

Formula:
C32H32O15

Smiles:
COc1ccc(-c2coc3ccc(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(OC(C)=O)c3c2=O)cc1

Aglycone:
COC(C)=O.COc1ccc(-c2coc3ccc(O)c(OC(C)=O)c3c2=O)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 0 FractionCSP3: 0.38
AlogP: 2.86 Num_rotatable_bonds: 10
MolWt: 656.59 Num_heavy_atoms: 47
TPSA: 189.4 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
AD20603
Formula: C18H14O6

Smiles:
COc1ccc(-c2coc3ccc(O)c(OC(C)=O)c3c2=O)cc1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.11
AlogP: 3.1 Num_rotatable_bonds: 3
MolWt: 326.3 Num_heavy_atoms: 24
TPSA: 85.97 NumAromaticRings: 3

Sugarmoiety
SD00012

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