Glycoside
GD154456
Name:
[3-(acetyloxy)-6-(6-{[5-(acetyloxy)-6-[(acetyloxy)methyl]-3,4-dihydroxyoxan-2-yl]oxy}-2-hydroxy-3-[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy)-4,5-dihydroxyoxan-2-yl]methyl acetateFormula:
C36H42O20Smiles:
COc1ccc(C=CC(=O)c2ccc(OC3OC(COC(C)=O)C(OC(C)=O)C(O)C3O)c(OC3OC(COC(C)=O)C(OC(C)=O)C(O)C3O)c2O)cc1OAglycone:
COC(C)=O.COC(C)=O.COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1OSugarmoiety:
CC(=O)OCC1OC(O)C(O)C(O)C1OC(C)=O.OC1OC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 14 |
| MolWt: | 794.71 | Num_heavy_atoms: | 56 |
| TPSA: | 289.8 | 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 |
AD21954
Formula: C16H14O6
Smiles:
COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
