Glycoside
GD031742
Name:
NoneFormula:
C47H70O15Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](O[C@H]3[C@H](OC(C)=O)[C@@H](O[C@@H]4CC([C@H](C)C(=O)CC[C@H](C)CO)[C@]5(C)CC[C@@H]6[C@H](CC[C@@H]7C[C@H](O)CC[C@]76C)[C@H]45)OC[C@H]3O)OC[C@H](O)[C@H]2O)cc1Aglycone:
CC(CO)CCC(=O)C(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C.COc1ccc(C(=O)O)cc1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 14 |
| MolWt: | 875.06 | Num_heavy_atoms: | 62 |
| TPSA: | 216.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD01329
Formula: C8H8O3
Smiles:
COc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD06193
Formula: C27H46O4
Smiles:
CC(CO)CCC(=O)C(C)C1CC(O)C2C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
