Glycoside
GD157863
Name:
6-({14,15-dimethoxy-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-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acidFormula:
C24H26O12Smiles:
COc1ccc2c(c1OC)OC1c3ccc(OC4(CO)OC(C(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OCC21Sugarmoiety:
O=C(O)C1OC(O)(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD42327
Formula: C17H16O5
Smiles:
COc1ccc2c(c1OC)OC1c3ccc(O)cc3OCC21| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
