Glycoside
...
GD128601

Name:
4-{[6-({3-[2-(3-ethylphenyl)ethoxy]-2,4-dihydroxy-5-methoxybenzoyloxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-methoxy-2-[(5-methylhexan-2-yl)amino]benzoic acid

Formula:
C39H51O14N

Smiles:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OCC3OC(Oc4cc(NC(C)CCC(C)C)c(C(=O)O)cc4OC)C(O)C(O)C3O)c2O)c1

Aglycone:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OC)c2O)c1.COc1cc(C(=O)O)c(NC(C)CCC(C)C)cc1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 7 FractionCSP3: 0.49
AlogP: 4.28 Num_rotatable_bonds: 18
MolWt: 757.83 Num_heavy_atoms: 54
TPSA: 222.93 NumAromaticRings: 3

Unique Aglycone
AD45836
Formula: C19H22O6

Smiles:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OC)c2O)c1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.32
AlogP: 3.08 Num_rotatable_bonds: 7
MolWt: 346.38 Num_heavy_atoms: 25
TPSA: 85.22 NumAromaticRings: 2
AD50416
Formula: C15H23O4N

Smiles:
COc1cc(C(=O)O)c(NC(C)CCC(C)C)cc1O
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.53
AlogP: 3.34 Num_rotatable_bonds: 7
MolWt: 281.35 Num_heavy_atoms: 20
TPSA: 78.79 NumAromaticRings: 1

Sugarmoiety
SD00017

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