Glycoside
GD099068
Name:
6-hydroxy-7,14-dimethoxy-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:
C22H20O13Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.39 | Num_heavy_atoms: | 35 |
| TPSA: | 198.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD09504
Formula: C16H10O8
Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34| 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 |
