Glycoside
GD129436
Name:
ethyl 3-{3-[1-(hydroxymethyl)cyclopentyl]-7-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl}propanoateFormula:
C26H36O11Smiles:
CCOC(=O)CCc1cc2c(C3(CO)CCCC3)coc2c(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3(CO)CCCC3)coc2c(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD52434
Formula: C20H26O6
Smiles:
CCOC(=O)CCc1cc2c(C3(CO)CCCC3)coc2c(OC)c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
