Glycoside
GD116075
Name:
3-(4-{[3,4-bis(acetyloxy)-5-hydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acidFormula:
C28H28O12Smiles:
CC(=O)OC1C(Oc2ccc(C=CC(=O)O)cc2)OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C1OC(C)=OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 175.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
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 |
