Glycoside
...
GD150127

Name:
N'-({3-[2-(6-aminopyridin-3-yl)-5-hydroxypentyl]-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:
C34H41O11N5

Smiles:
CNC(=N)NCc1c(CC(CCCO)c2ccc(=N)[nH]c2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CNC(=N)NCc1c(CC(CCCO)c2ccc(=N)[nH]c2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 11 FractionCSP3: 0.41
AlogP: -0.49 Num_rotatable_bonds: 12
MolWt: 695.73 Num_heavy_atoms: 50
TPSA: 270.76 NumAromaticRings: 3

Unique Aglycone
AD59984
Formula: C28H31O6N5

Smiles:
CNC(=N)NCc1c(CC(CCCO)c2ccc(=N)[nH]c2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 11 RingCount: 4
HBD: 8 FractionCSP3: 0.29
AlogP: 2.03 Num_rotatable_bonds: 9
MolWt: 533.59 Num_heavy_atoms: 39
TPSA: 191.61 NumAromaticRings: 3

Sugarmoiety
SD00003

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