Glycoside
GD136922
Name:
3-(6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acidFormula:
C22H28O13Smiles:
O=C(O)CCc1cc2ccoc2cc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
O=C(O)CCc1cc2ccoc2cc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.45 | Num_heavy_atoms: | 35 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD32238
Formula: C11H10O4
Smiles:
O=C(O)CCc1cc2ccoc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 206.2 | Num_heavy_atoms: | 15 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
