Glycoside
GD131297
Name:
3-(acetyloxy)-2-({6,14-dihydroxy-13-methoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-7-yl}oxy)-5-hydroxy-6-methyloxan-4-yl acetateFormula:
C25H22O14Smiles:
COc1cc2c(=O)oc3c(OC4OC(C)C(O)C(OC(C)=O)C4OC(C)=O)c(O)cc4c(=O)oc(c1O)c2c34Aglycone:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.44 | Num_heavy_atoms: | 39 |
| TPSA: | 201.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD45685
Formula: C15H8O8
Smiles:
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.22 | Num_heavy_atoms: | 23 |
| TPSA: | 130.34 | NumAromaticRings: | 4 |
