Glycoside
GD123967
Name:
3,4,5-trihydroxy-6-{[9-hydroxy-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:
C25H28O13Smiles:
COc1cc(CCO)c2c(c1OC)OC1c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC(O)C21Aglycone:
COc1cc(CCO)c2c(c1OC)OC1c3ccc(O)cc3OC(O)C21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD50055
Formula: C19H20O7
Smiles:
COc1cc(CCO)c2c(c1OC)OC1c3ccc(O)cc3OC(O)C21| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
