Glycoside
GD140397
Name:
6-{[14,15-dimethoxy-3-(3-methylbutyl)-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C28H34O11Smiles:
COc1ccc2c(c1OC)OC1c3c(CCC(C)C)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3c(CCC(C)C)cc(O)cc3OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 153.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD56613
Formula: C22H26O5
Smiles:
COc1ccc2c(c1OC)OC1c3c(CCC(C)C)cc(O)cc3OCC21| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.45 | Num_heavy_atoms: | 27 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
