Glycoside
GD015869
Name:
{3,4,5-trihydroxy-6-[(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C28H24O14Smiles:
O=C(C=Cc1ccc(O)cc1)OC[C@@H]1O[C@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=c1c2cc(O)c(O)cc2oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 584.49 | Num_heavy_atoms: | 42 |
| TPSA: | 236.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | 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 |
