Glycoside
...
GD118015

Name:
6-{[6-({3-[2-(3-ethylphenyl)ethoxy]-2,4-dihydroxy-5-methoxybenzoyloxy}(hydroxy)methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methyl-7-[(N'-methylcarbamimidamido)methoxy]-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid

Formula:
C43H58O15N4

Smiles:
CCc1cccc(CCOc2c(O)c(OC)cc(C(=O)OC(O)C3OC(Oc4c(OCNC(=N)NC)cc(C(=O)O)c5c4CCC(CC(C)C)C(C)N5)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)c2c(c1O)CCC(CC(C)C)C(C)N2

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 11 FractionCSP3: 0.51
AlogP: 2.84 Num_rotatable_bonds: 17
MolWt: 870.95 Num_heavy_atoms: 62
TPSA: 291.07 NumAromaticRings: 3

Unique Aglycone
AD46706
Formula: C19H30O4N4

Smiles:
CNC(=N)NCOc1cc(C(=O)O)c2c(c1O)CCC(CC(C)C)C(C)N2
HBA: 8 RingCount: 2
HBD: 6 FractionCSP3: 0.58
AlogP: 2.58 Num_rotatable_bonds: 6
MolWt: 378.47 Num_heavy_atoms: 27
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