Glycoside
GD028519
Name:
ENFUMAFUNGINFormula:
C38H60O12Smiles:
CC(=O)O[C@@H]1C[C@]23C4=CC[C@]5(C)[C@H](C(=O)O)[C@](C)([C@H](C)C(C)C)CC[C@@]5(C)[C@H]4CC[C@H]2[C@](C)(COC3O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)OC1CC23C4=CCC5(C)C(C(=O)O)C(C)(C(C)C(C)C)CCC5(C)C4CCC2C(C)(COC3O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 708.89 | Num_heavy_atoms: | 50 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD18620
Formula: C32H50O7
Smiles:
CC(=O)OC1CC23C4=CCC5(C)C(C(=O)O)C(C)(C(C)C(C)C)CCC5(C)C4CCC2C(C)(COC3O)C1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
