Glycoside
GD018242
Name:
NoneFormula:
C37H62O9Smiles:
COC(C)(C)CCC[C@](O)(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1C3=C(CC[C@]12C)C(C)(C)[C@@H]1CC[C@H]3O1Aglycone:
COC(C)(C)CCCC(O)(CO)C1CCC2(C)C1CCC1C3=C(CCC12C)C(C)(C)C1CCC3O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 650.89 | Num_heavy_atoms: | 46 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD12905
Formula: C31H52O4
Smiles:
COC(C)(C)CCCC(O)(CO)C1CCC2(C)C1CCC1C3=C(CCC12C)C(C)(C)C1CCC3O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 6.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
