Glycoside
GD023442
Name:
NoneFormula:
C52H59O18NSmiles:
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)CAglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 986.03 | Num_heavy_atoms: | 71 |
| TPSA: | 280.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD15765
Formula: C47H51O14N
Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C| HBA: | 15 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 853.92 | Num_heavy_atoms: | 62 |
| TPSA: | 221.29 | NumAromaticRings: | 3 |
