Glycoside
...
GD150931

Name:
N'-[(3-{[4-(6-aminopyridin-3-yl)piperidin-4-yl]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:
C35H42O10N6

Smiles:
CNC(=N)NCc1c(CC2(c3ccc(=N)[nH]c3)CCNCC2)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)CCNCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 11 FractionCSP3: 0.43
AlogP: -0.73 Num_rotatable_bonds: 9
MolWt: 706.75 Num_heavy_atoms: 51
TPSA: 262.56 NumAromaticRings: 3

Unique Aglycone
AD60242
Formula: C29H32O5N6

Smiles:
CNC(=N)NCc1c(CC2(c3ccc(=N)[nH]c3)CCNCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.31
AlogP: 1.8 Num_rotatable_bonds: 6
MolWt: 544.61 Num_heavy_atoms: 40
TPSA: 183.41 NumAromaticRings: 3

Sugarmoiety
SD00003

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