Glycoside
...
GD129555

Name:
N'-[(3-{[1-(6-aminopyridin-3-yl)cyclohexyl]methyl}-1-hydroxy-6-methoxy-9,10-dioxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-2-yl)methyl]-N-methylguanidine

Formula:
C36H43O10N5

Smiles:
CNC(=N)NCc1c(CC2(c3ccc(=N)[nH]c3)CCCCC2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CNC(=N)NCc1c(CC2(c3ccc(=N)[nH]c3)CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 10 FractionCSP3: 0.44
AlogP: 0.85 Num_rotatable_bonds: 9
MolWt: 705.77 Num_heavy_atoms: 51
TPSA: 250.53 NumAromaticRings: 3

Unique Aglycone
AD52482
Formula: C30H33O5N5

Smiles:
CNC(=N)NCc1c(CC2(c3ccc(=N)[nH]c3)CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 10 RingCount: 5
HBD: 7 FractionCSP3: 0.33
AlogP: 3.38 Num_rotatable_bonds: 6
MolWt: 543.62 Num_heavy_atoms: 40
TPSA: 171.38 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O