Glycoside
...
GD108150

Name:
Aloeresin A

Formula:
C28H28O11

Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)c2o1

Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.32
AlogP: 1.42 Num_rotatable_bonds: 7
MolWt: 540.52 Num_heavy_atoms: 39
TPSA: 183.96 NumAromaticRings: 3

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD06372
Formula: C13H12O4

Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.23
AlogP: 1.94 Num_rotatable_bonds: 2
MolWt: 232.23 Num_heavy_atoms: 17
TPSA: 67.51 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O