Glycoside
GD134955
Name:
6-hydroxy-7-methoxy-13-methyl-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:
C21H18O11Smiles:
COc1c(O)cc2c(=O)oc3c(OC4OCC(O)C(O)C4O)c(C)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(O)c(C)cc4c(=O)oc1c2c34Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.36 | Num_heavy_atoms: | 32 |
| TPSA: | 169.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD54594
Formula: C16H10O7
Smiles:
COc1c(O)cc2c(=O)oc3c(O)c(C)cc4c(=O)oc1c2c34| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 110.11 | NumAromaticRings: | 4 |
