Glycoside
GD155580
Name:
3,4,5-trihydroxy-6-{[9-hydroxy-14,15-dimethoxy-4-(2-phenylethyl)-8,17-dioxatetracyclo[8.7.0.0²,â·.0¹¹,¹â¶]heptadeca-2,4,6,11(16),12,14-hexaen-5-yl]oxy}oxane-2-carboxylic acidFormula:
C31H32O12Smiles:
COc1ccc2c(c1OC)OC1c3cc(CCc4ccccc4)c(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC(O)C21Aglycone:
COc1ccc2c(c1OC)OC1c3cc(CCc4ccccc4)c(O)cc3OC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.59 | Num_heavy_atoms: | 43 |
| TPSA: | 173.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD61703
Formula: C25H24O6
Smiles:
COc1ccc2c(c1OC)OC1c3cc(CCc4ccccc4)c(O)cc3OC(O)C21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.46 | Num_heavy_atoms: | 31 |
| TPSA: | 77.38 | NumAromaticRings: | 3 |
