Glycoside

GD156550
Name:
3-{[1-(6-aminopyridin-3-yl)cyclopentyl]methyl}-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C32H34O10N2Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCCC3)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCCC3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.41 |
AlogP: | 1.22 | Num_rotatable_bonds: | 7 |
MolWt: | 606.63 | Num_heavy_atoms: | 44 |
TPSA: | 202.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD61973
Formula: C26H24O5N2
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(CC3(c4ccc(=N)[nH]c4)CCCC3)cc(O)c1C2=OHBA: | 7 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.27 |
AlogP: | 3.74 | Num_rotatable_bonds: | 4 |
MolWt: | 444.49 | Num_heavy_atoms: | 33 |
TPSA: | 123.47 | NumAromaticRings: | 3 |