Glycoside
...
GD131648

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

Formula:
C27H33O10N3

Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)C(O)C2O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=O

Aglycone:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 8 FractionCSP3: 0.44
AlogP: -0.53 Num_rotatable_bonds: 7
MolWt: 559.57 Num_heavy_atoms: 40
TPSA: 210.89 NumAromaticRings: 2

Unique Aglycone
AD50074
Formula: C21H23O5N3

Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(C)c(CNC(=N)NC)c(O)c1C2=O
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.29
AlogP: 2.0 Num_rotatable_bonds: 4
MolWt: 397.43 Num_heavy_atoms: 29
TPSA: 131.74 NumAromaticRings: 2

Sugarmoiety
SD00003

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