Glycoside
GD140113
Name:
(6-{[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H28O13Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2ccc3c(c2O)OC(c2ccc(O)c(O)c2)CC3=O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C1CC(c2ccc(O)c(O)c2)Oc2c1ccc(O)c2OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 43 |
| TPSA: | 212.67 | NumAromaticRings: | 3 |
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 |
AD05557
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1ccc(O)c2O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
