Glycoside
GD116071
Name:
6-({14,15-dimethoxy-3-phenyl-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:
C29H28O11Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.34 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.53 | Num_heavy_atoms: | 40 |
| TPSA: | 153.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD46033
Formula: C23H20O5
Smiles:
COc1ccc2c(c1OC)OC1c3c(cc(O)cc3-c3ccccc3)OCC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.41 | Num_heavy_atoms: | 28 |
| TPSA: | 57.15 | NumAromaticRings: | 3 |
