Glycoside
GD135693
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H26O14Smiles:
O=C(C=Cc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -3.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 502.43 | Num_heavy_atoms: | 35 |
| TPSA: | 232.9 | NumAromaticRings: | 1 |
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 |
