Glycoside
...
GD125189

Name:
Aloin; (10R)-Form, 7-Hydroxy, 8-Me Ether

Formula:
C22H24O10

Smiles:
COc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2C1OC(CO)C(O)C(O)C1O

Aglycone:
COc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 7 FractionCSP3: 0.41
AlogP: -0.88 Num_rotatable_bonds: 4
MolWt: 448.42 Num_heavy_atoms: 32
TPSA: 177.14 NumAromaticRings: 2

Unique Aglycone
AD50623
Formula: C16H14O5

Smiles:
COc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.19
AlogP: 1.73 Num_rotatable_bonds: 2
MolWt: 286.28 Num_heavy_atoms: 21
TPSA: 86.99 NumAromaticRings: 2

Sugarmoiety
SD00003

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