Glycoside
GD135383
Name:
3,4,5-trihydroxy-6-{[12-(2-hydroxyethyl)-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}oxane-2-carboxylic acidFormula:
C25H28O12Smiles:
COc1cc(CCO)c2c(c1OC)OC1c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COc1cc(CCO)c2c(c1OC)OC1c3ccc(O)cc3OCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD54742
Formula: C19H20O6
Smiles:
COc1cc(CCO)c2c(c1OC)OC1c3ccc(O)cc3OCC21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
