Glycoside
GD026099
Name:
NoneFormula:
C37H58O11Smiles:
CC(=O)O[C@H](C[C@H](C)[C@@H]1C(=O)[C@H](O)[C@]2(C)C3=CC[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@]12C)[C@H](O)C(C)(C)OAglycone:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)C(C)(C)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD17231
Formula: C32H50O7
Smiles:
CC(=O)OC(CC(C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(O)C(C)(C)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
