Glycoside
GD125734
Name:
7-[2-(6-aminopyridin-3-yl)ethyl]-1-ethyl-5-hydroxy-2-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C30H32O10N2Smiles:
CCc1c(OC)cc(OC2OC(CO)C(O)C(O)C2O)c2c1C(=O)c1cc(CCc3ccc(=N)[nH]c3)cc(O)c1C2=OAglycone:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccc(=N)[nH]c3)cc(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 580.59 | Num_heavy_atoms: | 42 |
| TPSA: | 202.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD50860
Formula: C24H22O5N2
Smiles:
CCc1c(OC)cc(O)c2c1C(=O)c1cc(CCc3ccc(=N)[nH]c3)cc(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 123.47 | NumAromaticRings: | 3 |
