Glycoside
GD130697
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-4-(hydroxymethyl)-3,10-dioxatricyclo[4.4.0.0²,â´]dec-7-en-9-yl]oxy}oxan-2-yl)methyl 3-phenylprop-2-enoateFormula:
C24H28O11Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC2C=CC3C(O2)C2OC2(CO)C3O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccccc1.OCC12OC1C1OC(O)C=CC1C2OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 167.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD52961
Formula: C9H12O5
Smiles:
OCC12OC1C1OC(O)C=CC1C2O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
