Glycoside
GD021717
Name:
NoneFormula:
C55H82O16Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@]45C)C3(C)C)O[C@@H]3COC(c4ccccc4)O[C@H]32)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC7COC(c8ccccc8)OC7C(O)C6O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.84 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 999.25 | Num_heavy_atoms: | 71 |
| TPSA: | 232.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD14798
Formula: C43H62O8
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC7COC(c8ccccc8)OC7C(O)C6O)C(C)(C)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 7.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 706.96 | Num_heavy_atoms: | 51 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
