Glycoside
...
GD135672

Name:
4-[(6-{[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyloxy](hydroxy)methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2-[(1-hydroxypropan-2-yl)amino]-5-[(N'-methylcarbamimidamido)methoxy]benzoic acid

Formula:
C35H44O16N4

Smiles:
CNC(=N)NCOc1cc(C(=O)O)c(NC(C)CO)cc1OC1OC(C(O)OC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2O)C(O)C(O)C1O

Aglycone:
CNC(=N)NCOc1cc(C(=O)O)c(NC(C)CO)cc1O.COc1cc(C(=O)OCO)c(O)c(OCCc2ccccc2)c1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 12 FractionCSP3: 0.4
AlogP: -0.34 Num_rotatable_bonds: 17
MolWt: 776.75 Num_heavy_atoms: 55
TPSA: 311.3 NumAromaticRings: 3

Unique Aglycone
AD46138
Formula: C17H18O7

Smiles:
COc1cc(C(=O)OCO)c(O)c(OCCc2ccccc2)c1O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.24
AlogP: 1.83 Num_rotatable_bonds: 7
MolWt: 334.32 Num_heavy_atoms: 24
TPSA: 105.45 NumAromaticRings: 2
AD48836
Formula: C13H20O5N4

Smiles:
CNC(=N)NCOc1cc(C(=O)O)c(NC(C)CO)cc1O
HBA: 9 RingCount: 1
HBD: 7 FractionCSP3: 0.38
AlogP: -0.04 Num_rotatable_bonds: 7
MolWt: 312.33 Num_heavy_atoms: 22
TPSA: 146.93 NumAromaticRings: 1

Sugarmoiety
SD00017

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