Glycoside
GD032739
Name:
NoneFormula:
C55H82O17Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)OCc6ccccc6)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)OCc3ccccc3)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 1015.24 | Num_heavy_atoms: | 72 |
| TPSA: | 260.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD20956
Formula: C37H52O4
Smiles:
CC1(C)CCC2(C(=O)OCc3ccccc3)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 8.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 560.82 | Num_heavy_atoms: | 41 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
