Glycoside
GD034215
Name:
(3,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 3-phenylprop-2-enoateFormula:
C40H34O14Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](COC(=O)C=Cc5ccccc5)[C@H](O)[C@H](OC(=O)C=Cc5ccc(O)cc5)[C@H]4O)cc3o2)ccc1OAglycone:
COC(=O)C=Cc1ccccc1.COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 11 |
| MolWt: | 738.7 | Num_heavy_atoms: | 54 |
| TPSA: | 211.65 | NumAromaticRings: | 5 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD03755
Formula: C16H12O6
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
