Glycoside
...
GD148096

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

Formula:
C31H34O11N2

Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CC(CCCO)c3ccc(=N)[nH]c3)cc(O)c1C2=O

Aglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CC(CCCO)c3ccc(=N)[nH]c3)cc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 5
HBD: 8 FractionCSP3: 0.39
AlogP: 0.26 Num_rotatable_bonds: 10
MolWt: 610.62 Num_heavy_atoms: 44
TPSA: 222.85 NumAromaticRings: 3

Unique Aglycone
AD59277
Formula: C25H24O6N2

Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CC(CCCO)c3ccc(=N)[nH]c3)cc(O)c1C2=O
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.24
AlogP: 2.79 Num_rotatable_bonds: 7
MolWt: 448.48 Num_heavy_atoms: 33
TPSA: 143.7 NumAromaticRings: 3

Sugarmoiety
SD00003

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