Glycoside
GD124133
Name:
4,5-dihydroxy-6-[(4-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy]-2-(hydroxymethyl)oxan-3-yl benzoateFormula:
C29H34O15Smiles:
COc1cc(C=CC(=O)OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(OC(=O)c3ccccc3)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 231.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
