Glycoside
...
GD127950

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

Formula:
C32H35O10N3

Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCNCC3)cc(O)c1C2=O

Aglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCNCC3)cc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.41
AlogP: 0.03 Num_rotatable_bonds: 7
MolWt: 621.64 Num_heavy_atoms: 45
TPSA: 214.65 NumAromaticRings: 3

Unique Aglycone
AD51831
Formula: C26H25O5N3

Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCNCC3)cc(O)c1C2=O
HBA: 8 RingCount: 5
HBD: 5 FractionCSP3: 0.27
AlogP: 2.55 Num_rotatable_bonds: 4
MolWt: 459.5 Num_heavy_atoms: 34
TPSA: 135.5 NumAromaticRings: 3

Sugarmoiety
SD00003

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