Glycoside
GD114221
Name:
5-hydroxy-6-(3-hydroxy-2-methylprop-1-en-1-yl)-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-oneFormula:
C24H22O10Smiles:
CC(=Cc1c(O)ccc2c1oc(=O)c1c3ccc(OC4OCC(O)C(O)C4O)cc3oc21)COAglycone:
CC(=Cc1c(O)ccc2c1oc(=O)c1c3ccc(O)cc3oc21)COSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.43 | Num_heavy_atoms: | 34 |
| TPSA: | 162.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD44912
Formula: C19H14O6
Smiles:
CC(=Cc1c(O)ccc2c1oc(=O)c1c3ccc(O)cc3oc21)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 338.32 | Num_heavy_atoms: | 25 |
| TPSA: | 104.04 | NumAromaticRings: | 4 |
