Glycoside
...
GD150911

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

Formula:
C37H48O16N4

Smiles:
CCNc1cc(OC2OC(C(O)OC(=O)c3cc(OC)c(O)c(OCCc4ccccc4)c3O)C(O)C(O)C2O)c(OCNC(=N)NCCCCO)cc1C(=O)O

Aglycone:
CCNc1cc(O)c(OCNC(=N)NCCCCO)cc1C(=O)O.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: 0.43
AlogP: 0.44 Num_rotatable_bonds: 20
MolWt: 804.8 Num_heavy_atoms: 57
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
AD47587
Formula: C15H24O5N4

Smiles:
CCNc1cc(O)c(OCNC(=N)NCCCCO)cc1C(=O)O
HBA: 9 RingCount: 1
HBD: 7 FractionCSP3: 0.47
AlogP: 0.74 Num_rotatable_bonds: 10
MolWt: 340.38 Num_heavy_atoms: 24
TPSA: 146.93 NumAromaticRings: 1

Sugarmoiety
SD00017

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