Glycoside
GD093615
Name:
methyl 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylateFormula:
C23H28O11Smiles:
COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2ccccc2)C1Aglycone:
COC(=O)C1=CC(O)C(O)C(O)C1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | 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 |
AD40432
Formula: C8H12O5
Smiles:
COC(=O)C1=CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.18 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
