Glycoside
GD022643
Name:
NoneFormula:
C48H61O18NSmiles:
CC(=O)O[C@@]12CO[C@H]1C[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@H](NC(=O)C(C)C(C)O)c4ccccc4)C[C@](O)([C@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)CAglycone:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)C(C)C(C)O)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 940.01 | Num_heavy_atoms: | 67 |
| TPSA: | 294.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD15328
Formula: C43H53O14N
Smiles:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)C(C)C(C)O)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 807.89 | Num_heavy_atoms: | 58 |
| TPSA: | 235.45 | NumAromaticRings: | 2 |
