Glycoside
GD031417
Name:
{3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexyl)ethoxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C24H32O11Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](OCCC3(O)CCC(=O)CC3)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=C1CCC(O)(CCO)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.51 | Num_heavy_atoms: | 35 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD20243
Formula: C8H14O3
Smiles:
O=C1CCC(O)(CCO)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 158.2 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
