Glycoside
GD020359
Name:
Cimiracemoside EFormula:
C37H58O10Smiles:
CC(=O)O[C@H]([C@@H]1C[C@H](C)[C@@H]2[C@H](O1)C(=O)[C@]1(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]35CC[C@]21C)C(C)(C)OAglycone:
CC(=O)OC(C1CC(C)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD14069
Formula: C32H50O6
Smiles:
CC(=O)OC(C1CC(C)C2C(O1)C(=O)C1(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC21C)C(C)(C)O| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
