Glycoside
GD034514
Name:
FUSCOATROSIDEFormula:
C38H62O10Smiles:
CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@H](C(=O)O)[C@@]1(C)CC3Aglycone:
CC(=O)OC1CC2(C)C3=C(CCC2C(C)(C)C1O)C1(C)CCC(C)(C(C)C(C)C)C(C(=O)O)C1(C)CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.9 | Num_heavy_atoms: | 48 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD21939
Formula: C32H52O5
Smiles:
CC(=O)OC1CC2(C)C3=C(CCC2C(C)(C)C1O)C1(C)CCC(C)(C(C)C(C)C)C(C(=O)O)C1(C)CC3| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 7.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
