Glycoside
GD037158
Name:
NoneFormula:
C36H56O9Smiles:
CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 632.83 | Num_heavy_atoms: | 45 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD02343
Formula: C30H46O4
Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
