Glycoside
...
GD145498

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

Formula:
C39H52O15N4

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

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

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 11 FractionCSP3: 0.46
AlogP: 2.1 Num_rotatable_bonds: 19
MolWt: 816.86 Num_heavy_atoms: 58
TPSA: 291.07 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
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

Sugarmoiety
SD00017

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