Glycoside
GD109005
Name:
3,4,5-trihydroxy-6-{1-hydroxy-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-9-carbonyloxy}oxane-2-carboxylic acidFormula:
C27H36O10Smiles:
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)=C[C@@H]21Aglycone:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD44508
Formula: C21H28O4
Smiles:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.45 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
