Glycoside
GD152205
Name:
3,4,5-trihydroxy-6-{[(2,3,4-trihydroxy-5-methylcyclohexyl)oxy]methyl}oxan-2-yl 3-phenylprop-2-enoateFormula:
C22H30O10Smiles:
CC1CC(OCC2OC(OC(=O)C=Cc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC1CC(C)C(O)C(O)C1O.O=C(O)C=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.47 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD46936
Formula: C8H16O4
Smiles:
COC1CC(C)C(O)C(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.21 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
