Glycoside
GD112593
Name:
Periplocoside MFormula:
C34H52O9Smiles:
COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@@H](C)O[C@@H]6C[C@H](O)[C@H](O)[C@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=OAglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.78 | Num_heavy_atoms: | 43 |
| TPSA: | 123.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD19054
Formula: C28H42O6
Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
