Glycoside
GD125642
Name:
ethyl 3-(7-methoxy-3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}-6-{[3,4,5-trihydroxy-3-(2-hydroxyethyl)-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoateFormula:
C30H41O12NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC)c1OC1OC(CO)C(O)C(O)C1(O)CCOAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC)c1OSugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 607.65 | Num_heavy_atoms: | 43 |
| TPSA: | 200.87 | 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 |
