Glycoside
...
GD020895

Name:
None

Formula:
C32H29O11I

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3OC1OC(c2ccccc2)C(O)C(O)C1I

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3O.c1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.34
AlogP: 2.83 Num_rotatable_bonds: 5
MolWt: 716.48 Num_heavy_atoms: 44
TPSA: 180.05 NumAromaticRings: 3

Unique Aglycone
AD01041
Formula: C21H18O8

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3O
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.29
AlogP: 1.18 Num_rotatable_bonds: 2
MolWt: 398.37 Num_heavy_atoms: 29
TPSA: 141.36 NumAromaticRings: 2
AD02938
Formula: C6H6

Smiles:
c1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.69 Num_rotatable_bonds: 0
MolWt: 78.11 Num_heavy_atoms: 6
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD02368

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