Glycoside
GD037428
Name:
NoneFormula:
C55H85O16NSmiles:
COc1ccc(NC(=O)[C@@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@@]2(C)CC3)cc1Aglycone:
COc1ccc(NC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)cc1Sugarmoiety:
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: | 9 | FractionCSP3: | 0.84 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 1016.28 | Num_heavy_atoms: | 72 |
| TPSA: | 255.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD23582
Formula: C37H55O3N
Smiles:
COc1ccc(NC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)cc1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 8.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 561.85 | Num_heavy_atoms: | 41 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
