Glycoside
...
GD144053

Name:
N'-{[1-hydroxy-3-(4-hydroxybutyl)-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:
C28H35O11N3

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

Aglycone:
CNC(=N)NCc1c(CCCCO)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: 9 FractionCSP3: 0.46
AlogP: -1.09 Num_rotatable_bonds: 10
MolWt: 589.6 Num_heavy_atoms: 42
TPSA: 231.12 NumAromaticRings: 2

Unique Aglycone
AD45597
Formula: C22H25O6N3

Smiles:
CNC(=N)NCc1c(CCCCO)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 9 RingCount: 3
HBD: 6 FractionCSP3: 0.32
AlogP: 1.44 Num_rotatable_bonds: 7
MolWt: 427.46 Num_heavy_atoms: 31
TPSA: 151.97 NumAromaticRings: 2

Sugarmoiety
SD00003

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