Glycoside
GD011799
Name:
EUCALMAIDIN BFormula:
C23H30O12Smiles:
CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@@H]2O[C@H](Oc3c(O)cc(C(=O)O)cc3O)[C@H](O)[C@H](O)[C@H]2O)CC1Aglycone:
COC(=O)C1=CCC(C(C)(C)O)CC1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 498.48 | Num_heavy_atoms: | 35 |
| TPSA: | 203.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD04696
Formula: C11H18O3
Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
