Glycoside
GD145230
Name:
6-{[14,15-dimethoxy-4-(2-phenylethyl)-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C31H32O11Smiles:
COc1ccc2c(c1OC)OC1c3cc(CCc4ccccc4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3cc(CCc4ccccc4)c(O)cc3OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 580.59 | Num_heavy_atoms: | 42 |
| TPSA: | 153.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD58308
Formula: C25H24O5
Smiles:
COc1ccc2c(c1OC)OC1c3cc(CCc4ccccc4)c(O)cc3OCC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.46 | Num_heavy_atoms: | 30 |
| TPSA: | 57.15 | NumAromaticRings: | 3 |
