Glycoside
GD027316
Name:
NoneFormula:
C36H60O8Smiles:
CC1OC(OC[C@@]2(C)[C@H](O)[C@H](O)[C@H](O)[C@@]3(C)[C@H]2CC[C@@]2(C)[C@H]3CC=C3[C@@H]4[C@H](C)[C@H](C)CC[C@@]4(C)CC[C@]32C)C(O)C(O)C1OAglycone:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC43C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD17961
Formula: C30H50O4
Smiles:
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC43C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
