Glycoside
GD141841
Name:
6,7,14-trihydroxy-5,12-dimethoxy-13-[(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:
C21H18O14Smiles:
COc1c(O)c(O)c2oc(=O)c3c(OC)c(OC4OCC(O)C(O)C4O)c(O)c4oc(=O)c1c2c43Aglycone:
COc1c(O)c(O)c2oc(=O)c3c(OC)c(O)c(O)c4oc(=O)c1c2c43Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.36 | Num_heavy_atoms: | 35 |
| TPSA: | 218.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD57110
Formula: C16H10O10
Smiles:
COc1c(O)c(O)c2oc(=O)c3c(OC)c(O)c(O)c4oc(=O)c1c2c43| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.25 | Num_heavy_atoms: | 26 |
| TPSA: | 159.8 | NumAromaticRings: | 4 |
