Glycoside
GD021311
Name:
NoneFormula:
C50H63O19NSmiles:
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)C(C)C(C)O)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)C(C)C(C)O)c3ccccc3)C(C)=C1C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 13 |
| MolWt: | 982.04 | Num_heavy_atoms: | 70 |
| TPSA: | 300.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD14593
Formula: C45H55O15N
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)C(C)C(C)O)c3ccccc3)C(C)=C1C2(C)C| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 849.93 | Num_heavy_atoms: | 61 |
| TPSA: | 241.52 | NumAromaticRings: | 2 |
