Glycoside
...
GD149871

Name:
3-{[1-(6-aminopyridin-3-yl)cyclohexyl]methyl}-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione

Formula:
C33H36O10N2

Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCCCC3)cc(O)c1C2=O

Aglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCCCC3)cc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 7 FractionCSP3: 0.42
AlogP: 1.61 Num_rotatable_bonds: 7
MolWt: 620.66 Num_heavy_atoms: 45
TPSA: 202.62 NumAromaticRings: 3

Unique Aglycone
AD59904
Formula: C27H26O5N2

Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCCCC3)cc(O)c1C2=O
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.3
AlogP: 4.13 Num_rotatable_bonds: 4
MolWt: 458.51 Num_heavy_atoms: 34
TPSA: 123.47 NumAromaticRings: 3

Sugarmoiety
SD00003

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