Glycoside
GD137993
Name:
2-{[3-(acetyloxy)-4-hydroxy-6-(hydroxymethyl)-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C32H36O16Smiles:
CC(=O)OC1C(OC2(CO)OC(CO)C(O)C2OC(=O)C=Cc2ccc(O)cc2)OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 12 |
| MolWt: | 676.62 | Num_heavy_atoms: | 48 |
| TPSA: | 248.2 | NumAromaticRings: | 2 |
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 |
