Glycoside
GD137606
Name:
4,5-dihydroxy-2-({14-hydroxy-6,13-dimethoxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-7-yl}oxy)-6-methyloxan-3-yl acetateFormula:
C24H22O13Smiles:
COc1cc2c(=O)oc3c(OC4OC(C)C(O)C(O)C4OC(C)=O)c(OC)cc4c(=O)oc(c1O)c2c34Aglycone:
COc1cc2c(=O)oc3c(O)c(OC)cc4c(=O)oc(c1O)c2c34Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.43 | Num_heavy_atoms: | 37 |
| TPSA: | 184.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD46874
Formula: C16H10O8
Smiles:
COc1cc2c(=O)oc3c(O)c(OC)cc4c(=O)oc(c1O)c2c34| 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 |
