Glycoside
GD034438
Name:
1-[5-hydroxy-3-methoxy-2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethan-1-oneFormula:
C20H26O10Smiles:
C=C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1Oc2cc(C(C)=O)c(O)cc2[C@H]1OCAglycone:
C=C(CO)C1Oc2cc(C(C)=O)c(O)cc2C1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD21894
Formula: C14H16O5
Smiles:
C=C(CO)C1Oc2cc(C(C)=O)c(O)cc2C1OC| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
