Glycoside

GD148285
Name:
ethyl 3-(6-{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-[(4-methylpentyl)oxy]-3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}-1-benzofuran-5-yl)propanoateFormula:
C33H47O12NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCCC(C)C)c1OC1OC(C(O)O)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCCC(C)C)c1OSugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 5 |
HBD: | 6 | FractionCSP3: | 0.7 |
AlogP: | 2.85 | Num_rotatable_bonds: | 13 |
MolWt: | 649.73 | Num_heavy_atoms: | 46 |
TPSA: | 200.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD56981
Formula: C27H37O6N
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCCC(C)C)c1OHBA: | 7 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.63 |
AlogP: | 6.06 | Num_rotatable_bonds: | 10 |
MolWt: | 471.59 | Num_heavy_atoms: | 34 |
TPSA: | 101.49 | NumAromaticRings: | 2 |