Glycoside
GD120724
Name:
ethyl 3-(6-{[6-(dihydroxymethyl)-3,4,5-trihydroxy-3-(3-hydroxypropyl)oxan-2-yl]oxy}-7-methoxy-3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}-1-benzofuran-5-yl)propanoateFormula:
C31H43O13NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC)c1OC1OC(C(O)O)C(O)C(O)C1(O)CCCOAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OC)c1OSugarmoiety:
OCCCC1(O)C(O)OC(C(O)O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 637.68 | Num_heavy_atoms: | 45 |
| TPSA: | 221.1 | 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 |
