Glycoside
...
GD140746

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

Formula:
C41H56O15N4

Smiles:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OC(O)C3OC(Oc4cc(NC(C)CCC(C)C)c(C(=O)O)cc4OCNC(=N)NC)C(O)C(O)C3O)c2O)c1

Aglycone:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OCO)c2O)c1.CNC(=N)NCOc1cc(C(=O)O)c(NC(C)CCC(C)C)cc1O

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 11 FractionCSP3: 0.49
AlogP: 2.67 Num_rotatable_bonds: 20
MolWt: 844.91 Num_heavy_atoms: 60
TPSA: 291.07 NumAromaticRings: 3

Unique Aglycone
AD46239
Formula: C17H28O4N4

Smiles:
CNC(=N)NCOc1cc(C(=O)O)c(NC(C)CCC(C)C)cc1O
HBA: 8 RingCount: 1
HBD: 6 FractionCSP3: 0.53
AlogP: 2.41 Num_rotatable_bonds: 9
MolWt: 352.44 Num_heavy_atoms: 25
TPSA: 126.7 NumAromaticRings: 1
AD47128
Formula: C19H22O7

Smiles:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OCO)c2O)c1
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.32
AlogP: 2.4 Num_rotatable_bonds: 8
MolWt: 362.38 Num_heavy_atoms: 26
TPSA: 105.45 NumAromaticRings: 2

Sugarmoiety
SD00017

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