Glycoside
GD122427
Name:
6,7,14-trimethoxy-13-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)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:
C29H32O18Smiles:
COc1cc2c(=O)oc3c(OC)c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc4c(=O)oc(c1OC)c2c34Aglycone:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.56 | Num_heavy_atoms: | 47 |
| TPSA: | 266.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD05280
Formula: C17H12O8
Smiles:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 108.34 | NumAromaticRings: | 4 |
