Glycoside
GD137766
Name:
7,14-dimethoxy-3,10-dioxo-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0â´,¹â¶.0¹¹,¹âµ]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl 3,4,5-trihydroxybenzoateFormula:
C28H22O16Smiles:
COc1c(OC(=O)c2cc(O)c(O)c(O)c2)cc2c(=O)oc3c(OC)c(OC4OCC(O)C(O)C4O)cc4c(=O)oc1c2c34Aglycone:
COc1c(O)cc2c(=O)oc3c(OC)c(OC(=O)c4cc(O)c(O)c(O)c4)cc4c(=O)oc1c2c34Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 614.47 | Num_heavy_atoms: | 44 |
| TPSA: | 245.02 | NumAromaticRings: | 5 |
Unique Aglycone
AD55640
Formula: C23H14O12
Smiles:
COc1c(O)cc2c(=O)oc3c(OC)c(OC(=O)c4cc(O)c(O)c(O)c4)cc4c(=O)oc1c2c34| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 482.35 | Num_heavy_atoms: | 35 |
| TPSA: | 186.1 | NumAromaticRings: | 5 |
