Glycoside
GD002159
Name:
NoneFormula:
C40H58O10Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3C[C@@H]4[C@@H]5CC=C6C[C@H](O)CC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@@]3(O)[C@H](C)C(=O)CCC(C)C)OC[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C.COc1ccc(C(=O)O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.89 | Num_heavy_atoms: | 50 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD01328
Formula: C27H44O4
Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
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 |
