Glycoside
...
GD117228

Name:
6-[(6-{[2,4-dihydroxy-5-methoxy-3-(2-phenylethoxy)benzoyloxy](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:
C41H54O15N4

Smiles:
CNC(=N)NCOc1cc(C(=O)O)c2c(c1OC1OC(C(O)OC(=O)c3cc(OC)c(O)c(OCCc4ccccc4)c3O)C(O)C(O)C1O)CCC(CC(C)C)C(C)N2

Aglycone:
CNC(=N)NCOc1cc(C(=O)O)c2c(c1O)CCC(CC(C)C)C(C)N2.COc1cc(C(=O)OCO)c(O)c(OCCc2ccccc2)c1O

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 11 FractionCSP3: 0.49
AlogP: 2.28 Num_rotatable_bonds: 16
MolWt: 842.9 Num_heavy_atoms: 60
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
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

Sugarmoiety
SD00017

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