Glycoside
GD122125
Name:
4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C21H28O13Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(O)C(CO)OC1(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 488.44 | Num_heavy_atoms: | 34 |
| TPSA: | 215.83 | 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 |
