Glycoside
...
GD147445

Name:
4,5-dihydroxy-6-[(2-hydroxycyclohexyl)oxy]-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:
C21H28O9

Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(CO)OC(OC2CCCCC2O)C(O)C1O

Aglycone:
O=C(O)C=Cc1ccc(O)cc1.OC1CCCCC1O

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.57
AlogP: 0.08 Num_rotatable_bonds: 6
MolWt: 424.45 Num_heavy_atoms: 30
TPSA: 145.91 NumAromaticRings: 1

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
AD00489
Formula: C6H12O2

Smiles:
OC1CCCCC1O
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.28 Num_rotatable_bonds: 0
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD00003

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