Glycoside
GD123798
Name:
ethyl 3-(7-methoxy-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:
C28H37O11NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 563.6 | Num_heavy_atoms: | 40 |
| TPSA: | 180.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD46604
Formula: C22H27O6N
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC)c1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.46 | Num_heavy_atoms: | 29 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
