Glycoside
...
GD128322

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

Formula:
C27H31O11N3

Smiles:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 8 FractionCSP3: 0.41
AlogP: -1.27 Num_rotatable_bonds: 9
MolWt: 573.56 Num_heavy_atoms: 41
TPSA: 227.96 NumAromaticRings: 2

Unique Aglycone
AD45248
Formula: C21H21O6N3

Smiles:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.24
AlogP: 1.26 Num_rotatable_bonds: 6
MolWt: 411.41 Num_heavy_atoms: 30
TPSA: 148.81 NumAromaticRings: 2

Sugarmoiety
SD00003

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