Glycoside
GD129785
Name:
ethyl 3-[7-(cyclohexyloxy)-3-(5-oxopyrrolidin-3-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl]propanoateFormula:
C29H39O11NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC2CCCCC2)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC2CCCCC2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 577.63 | Num_heavy_atoms: | 41 |
| TPSA: | 180.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD52581
Formula: C23H29O6N
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC2CCCCC2)c1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 415.49 | Num_heavy_atoms: | 30 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
