Glycoside
GD023980
Name:
3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)oxy]oxan-4-yl 3-phenylprop-2-enoateFormula:
C28H24O13Smiles:
O=C(C=Cc1ccccc1)O[C@@H]1[C@H](O)[C@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H]1OAglycone:
O=C(O)C=Cc1ccccc1.O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.21 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.49 | Num_heavy_atoms: | 41 |
| TPSA: | 216.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD06591
Formula: C13H8O7
Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 276.2 | Num_heavy_atoms: | 20 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
