Glycoside
GD003772
Name:
NoneFormula:
C21H33O8NSmiles:
CC1=CCC[C@]2(C)O[C@H]2[C@@H]2OC(=O)[C@H](CN[C@H]3[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]3O)[C@H]2CC1Aglycone:
CC1=CCCC2(C)OC2C2OC(=O)C(CN)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 427.49 | Num_heavy_atoms: | 30 |
| TPSA: | 141.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD03381
Formula: C15H23O3N
Smiles:
CC1=CCCC2(C)OC2C2OC(=O)C(CN)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 265.35 | Num_heavy_atoms: | 19 |
| TPSA: | 64.85 | NumAromaticRings: | 0 |
