Glycoside
GD036762
Name:
NoneFormula:
C39H62O8Smiles:
COC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C)CC[C@@H]5O[C@H](CC6O[C@H]([C@H](C)O)[C@H](O)[C@H]6O)OC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC5OC(C)OCC5(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC(O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 5.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 658.92 | Num_heavy_atoms: | 47 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD23186
Formula: C33H52O4
Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC5OC(C)OCC5(C)C4CCC3(C)C1(C)CC2| HBA: | 4 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.91 |
| AlogP: | 7.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 512.78 | Num_heavy_atoms: | 37 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
