Glycoside
GD154002
Name:
{3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl}methyl benzoateFormula:
C29H28O11Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(Oc2ccc(O)cc2CO)OC(COC(=O)c2ccccc2)C(O)C1OAglycone:
COC(=O)c1ccccc1.O=C(O)C=Cc1ccc(O)cc1.OCc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.53 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 3 |
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 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD00674
Formula: C7H8O3
Smiles:
OCc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
