Glycoside
...
GD135446

Name:
4-(acetyloxy)-2,5-dihydroxy-6-{[(2-hydroxypropyl)amino]methyl}oxan-3-yl 6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-[3-(2-hydroxyethyl)phenyl]hexanoate

Formula:
C33H45O12N

Smiles:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)OC2C(O)OC(CNCC(C)O)C(O)C2OC(C)=O)ccc1O

Aglycone:
CNCC(C)O.COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1O

Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.52
AlogP: 0.77 Num_rotatable_bonds: 16
MolWt: 647.72 Num_heavy_atoms: 46
TPSA: 204.47 NumAromaticRings: 2

Unique Aglycone
AD48346
Formula: C22H26O6

Smiles:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.32
AlogP: 2.96 Num_rotatable_bonds: 10
MolWt: 386.44 Num_heavy_atoms: 28
TPSA: 107.22 NumAromaticRings: 2
AD49499
Formula: C4H11ON

Smiles:
CNCC(C)O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.41 Num_rotatable_bonds: 2
MolWt: 89.14 Num_heavy_atoms: 6
TPSA: 32.26 NumAromaticRings: 0

Sugarmoiety
SD01371

CC(=O)OC1C(O)C(O)OC(O)C1O