Glycoside
GD137146
Name:
[5-({5-[(acetyloxy)methyl]-2,3,4-trihydroxycyclohexyl}oxy)-3-hydroxy-5-(hydroxymethyl)-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C34H40O16Smiles:
COc1cc(C=CC(=O)OCC2OC(CO)(OC3CC(COC(C)=O)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)ccc1OAglycone:
CC(=O)OCC1CC(O)C(O)C(O)C1O.COC(=O)C=Cc1ccc(O)c(OC)c1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 704.68 | Num_heavy_atoms: | 50 |
| 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 |
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD55425
Formula: C9H16O6
Smiles:
CC(=O)OCC1CC(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.22 | Num_heavy_atoms: | 15 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
