Glycoside
GD117626
Name:
5-hydroxy-6,7,14-trimethoxy-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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:
C23H22O14Smiles:
COc1c(OC)c2oc(=O)c3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c4oc(=O)c(c1O)c2c43Aglycone:
COc1c(OC)c2oc(=O)c3cc(O)c(OC)c4oc(=O)c(c1O)c2c43Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.42 | Num_heavy_atoms: | 37 |
| TPSA: | 207.72 | NumAromaticRings: | 4 |
Unique Aglycone
AD46923
Formula: C17H12O9
Smiles:
COc1c(OC)c2oc(=O)c3cc(O)c(OC)c4oc(=O)c(c1O)c2c43| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.27 | Num_heavy_atoms: | 26 |
| TPSA: | 128.57 | NumAromaticRings: | 4 |
