Glycoside
GD120241
Name:
6-hydroxy-5-[(3-methylbut-2-en-1-yl)oxy]-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:
C26H26O11Smiles:
CC(C)=CCOc1ccc2c(oc(=O)c3c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4oc23)c1OAglycone:
CC(C)=CCOc1ccc2c(oc(=O)c3c4ccc(O)cc4oc23)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.48 | Num_heavy_atoms: | 37 |
| TPSA: | 172.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD48275
Formula: C20H16O6
Smiles:
CC(C)=CCOc1ccc2c(oc(=O)c3c4ccc(O)cc4oc23)c1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.34 | Num_heavy_atoms: | 26 |
| TPSA: | 93.04 | NumAromaticRings: | 4 |
