Glycoside
GD119788
Name:
2-{[3-(acetyloxy)-6-[(acetyloxy)methyl]-4-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-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:
C46H54O25Smiles:
CC(=O)OCC1OC(OC2C(OC(=O)C=Cc3ccc(O)cc3)C(COC(C)=O)OC(OC3(CO)OC(CO)C(O)C3OC(=O)C=Cc3ccc(O)cc3)C2OC(C)=O)C(OC(C)=O)C(O)C1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(OC2C(O)C(O)OC(OC3(CO)OC(CO)C(O)C3O)C2OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 19 |
| MolWt: | 1006.91 | Num_heavy_atoms: | 71 |
| TPSA: | 351.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
