Glycoside
GD154364
Name:
ethyl 3-(3-cyclohexyl-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)-3-(3-hydroxypropyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoateFormula:
C29H42O11Smiles:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OC)c1OC1OC(CO)C(O)C(O)C1(O)CCCOAglycone:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OC)c1OSugarmoiety:
OCCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD51982
Formula: C20H26O5
Smiles:
CCOC(=O)CCc1cc2c(C3CCCCC3)coc2c(OC)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.42 | Num_heavy_atoms: | 25 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
