Glycoside
...
GD123995

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

Formula:
C33H37O11N3

Smiles:
CNC(=N)NCc1c(CCc2ccccc2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CNC(=N)NCc1c(CCc2ccccc2)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: 0.36
AlogP: -0.12 Num_rotatable_bonds: 10
MolWt: 651.67 Num_heavy_atoms: 47
TPSA: 231.12 NumAromaticRings: 3

Unique Aglycone
AD47436
Formula: C27H27O6N3

Smiles:
CNC(=N)NCc1c(CCc2ccccc2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 9 RingCount: 4
HBD: 6 FractionCSP3: 0.22
AlogP: 2.4 Num_rotatable_bonds: 7
MolWt: 489.53 Num_heavy_atoms: 36
TPSA: 151.97 NumAromaticRings: 3

Sugarmoiety
SD00003

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