Glycoside
GD132805
Name:
ethyl 3-(6-{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-[2-(methylamino)ethoxy]-3-{1-oxo-2-azaspiro[4.4]nonan-4-yl}-1-benzofuran-5-yl)propanoateFormula:
C30H42O12N2Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCNC)c1OC1OC(C(O)O)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCNC)c1OSugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 622.67 | Num_heavy_atoms: | 44 |
| TPSA: | 212.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD53740
Formula: C24H32O6N2
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C34CCCC4)coc2c(OCCNC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.53 | Num_heavy_atoms: | 32 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
