Glycoside

GD132742
Name:
ethyl 3-{7-[2-(methylamino)ethoxy]-3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl}propanoateFormula:
C30H42O11N2Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCNC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCNC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.67 |
AlogP: | 1.32 | Num_rotatable_bonds: | 12 |
MolWt: | 606.67 | Num_heavy_atoms: | 43 |
TPSA: | 192.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD53740
Formula: C24H32O6N2
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCNC)c1OHBA: | 8 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.58 |
AlogP: | 3.85 | Num_rotatable_bonds: | 9 |
MolWt: | 444.53 | Num_heavy_atoms: | 32 |
TPSA: | 113.52 | NumAromaticRings: | 2 |