Glycoside
GD142076
Name:
2-{[5-(3-butoxyprop-1-en-1-yl)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H38O11Smiles:
CCCCOCC=Cc1cc(O)c2c(c1)C(COC1OC(CO)C(O)C(O)C1O)C(c1ccc(O)c(OC)c1)O2Aglycone:
CCCCOCC=Cc1cc(O)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 12 |
| MolWt: | 562.61 | Num_heavy_atoms: | 40 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD57187
Formula: C23H28O6
Smiles:
CCCCOCC=Cc1cc(O)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 400.47 | Num_heavy_atoms: | 29 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
