Glycoside
GD141915
Name:
7-hydroxy-6,13-dimethoxy-14-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dioneFormula:
C21H18O12Smiles:
COc1cc2c(=O)oc3c(OC4OCC(O)C(O)C4O)c(OC)cc4c(=O)oc(c1O)c2c34Aglycone:
COc1cc2c(=O)oc3c(O)c(OC)cc4c(=O)oc(c1O)c2c34Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.36 | Num_heavy_atoms: | 33 |
| TPSA: | 178.26 | NumAromaticRings: | 4 |
Unique Aglycone
AD46874
Formula: C16H10O8
Smiles:
COc1cc2c(=O)oc3c(O)c(OC)cc4c(=O)oc(c1O)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 119.34 | NumAromaticRings: | 4 |
