Glycoside
GD123072
Name:
ethyl 3-[7-(cyclohexyloxy)-6-{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}-1-benzofuran-5-yl]propanoateFormula:
C33H45O12NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC2CCCCC2)c1OC1OC(C(O)O)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC2CCCCC2)c1OSugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 647.72 | Num_heavy_atoms: | 46 |
| TPSA: | 200.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD49642
Formula: C27H35O6N
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC2CCCCC2)c1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.58 | Num_heavy_atoms: | 34 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
