Glycoside
GD120686
Name:
3-oxo-3-[(3,4,6-trihydroxy-5-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹â°.0â´,â¸.0¹³,¹â¸]icosa-2(10),3,8,13,15,17-hexaen-15-ylperoxy}oxan-2-yl)methoxy]propanoic acidFormula:
C25H24O14Smiles:
O=C(O)CC(=O)OCC1OC(O)C(OOc2ccc3c(c2)C2Oc4cc5c(cc4C2CO3)OCO5)C(O)C1OAglycone:
COC(=O)CC(=O)O.OOc1ccc2c(c1)C1Oc3cc4c(cc3C1CO2)OCO4Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.45 | Num_heavy_atoms: | 39 |
| TPSA: | 188.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD47742
Formula: C16H12O6
Smiles:
OOc1ccc2c(c1)C1Oc3cc4c(cc3C1CO2)OCO4| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 66.38 | NumAromaticRings: | 2 |
