Glycoside
GD027431
Name:
NoneFormula:
C36H58O8Smiles:
C[C@@H]1C[C@@H]2O[C@]3(C[C@H]2C(C)(C)O)[C@@H]1[C@]1(C)CC[C@@]24C[C@]25CC[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]5CC[C@H]4[C@@]1(C)[C@H]3OAglycone:
CC1CC2OC3(CC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD18029
Formula: C31H50O4
Smiles:
CC1CC2OC3(CC2C(C)(C)O)C1C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 4 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
