Glycoside
GD122505
Name:
7,14-dimethoxy-3,10-dioxo-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl acetateFormula:
C23H20O13Smiles:
COc1c(OC(C)=O)cc2c(=O)oc3c(OC)c(OC4OCC(O)C(O)C4O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(OC)c(OC(C)=O)cc4c(=O)oc1c2c34Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.4 | Num_heavy_atoms: | 36 |
| TPSA: | 184.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD49373
Formula: C18H12O9
Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(OC(C)=O)cc4c(=O)oc1c2c34| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.29 | Num_heavy_atoms: | 27 |
| TPSA: | 125.41 | NumAromaticRings: | 4 |
