Glycoside
...
GD115721

Name:
N'-{[3-cyclohexyl-1-hydroxy-5-(hydroxymethyl)-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:
C31H39O11N3

Smiles:
CNC(=N)NCc1c(C2CCCCC2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CNC(=N)NCc1c(C2CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 9 FractionCSP3: 0.52
AlogP: 0.14 Num_rotatable_bonds: 8
MolWt: 629.66 Num_heavy_atoms: 45
TPSA: 231.12 NumAromaticRings: 2

Unique Aglycone
AD45833
Formula: C25H29O6N3

Smiles:
CNC(=N)NCc1c(C2CCCCC2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.4
AlogP: 2.67 Num_rotatable_bonds: 5
MolWt: 467.52 Num_heavy_atoms: 34
TPSA: 151.97 NumAromaticRings: 2

Sugarmoiety
SD00003

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