Glycoside
GD129899
Name:
ethyl 3-[7-(cyclopentyloxy)-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:
C32H43O11NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC2CCCC2)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC2CCCC2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 617.69 | Num_heavy_atoms: | 44 |
| TPSA: | 180.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD47276
Formula: C26H33O6N
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC2CCCC2)c1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.55 | Num_heavy_atoms: | 33 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
