Glycoside
...
GD128917

Name:
N'-{[1-hydroxy-5-(hydroxymethyl)-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:
C28H33O12N3

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 9 FractionCSP3: 0.43
AlogP: -1.78 Num_rotatable_bonds: 10
MolWt: 603.58 Num_heavy_atoms: 43
TPSA: 248.19 NumAromaticRings: 2

Unique Aglycone
AD52219
Formula: C22H23O7N3

Smiles:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.27
AlogP: 0.75 Num_rotatable_bonds: 7
MolWt: 441.44 Num_heavy_atoms: 32
TPSA: 169.04 NumAromaticRings: 2

Sugarmoiety
SD00003

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