Glycoside
GD014372
Name:
NoneFormula:
C42H69O14NSmiles:
C=CCO[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](CC=O)C[C@@H](C)C(=O)C=CC(C)=C[C@@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@H]3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@H]2C)[C@H](O)[C@H]1N(C)CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
C=CCOC1C(C)OC(O)C(O)C1N(C)C.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 14 |
| MolWt: | 812.01 | Num_heavy_atoms: | 57 |
| TPSA: | 188.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD01623
Formula: C23H36O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
