Glycoside
GD017989
Name:
NoneFormula:
C50H61O18NSmiles:
CC=C(C)C(=O)N[C@H](c1ccccc1)[C@H](O)C(=O)O[C@@H]1C[C@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@]4(OC(C)=O)CO[C@H]4C[C@@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)CAglycone:
CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 12 |
| MolWt: | 964.03 | Num_heavy_atoms: | 69 |
| TPSA: | 280.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD12772
Formula: C45H53O14N
Smiles:
CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.51 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 831.91 | Num_heavy_atoms: | 60 |
| TPSA: | 221.29 | NumAromaticRings: | 2 |
