Glycoside
GD008247
Name:
TROLEANDOMYCINFormula:
C41H67O15NSmiles:
CO[C@@H]1C[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@H](C)[C@H]1OC(C)=OAglycone:
CC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2OC(C)=O)C(C)C(O)C(C)C(=O)OC(C)C1CSugarmoiety:
COC1CC(O)OC(C)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 813.98 | Num_heavy_atoms: | 57 |
| TPSA: | 184.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD06609
Formula: C32H53O11N
Smiles:
CC(=O)OC1C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(N(C)C)C2OC(C)=O)C(C)C(O)C(C)C(=O)OC(C)C1C| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 627.77 | Num_heavy_atoms: | 44 |
| TPSA: | 150.43 | NumAromaticRings: | 0 |
