Glycoside
GD140432
Name:
ascr#8Formula:
C21H29O7NSmiles:
CC(CCC=CC(=O)Nc1ccc(C(=O)O)cc1)OC1OC(C)(C)C(O)CC1OAglycone:
CC(O)CCC=CC(=O)Nc1ccc(C(=O)O)cc1Sugarmoiety:
CC1(C)OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 407.46 | Num_heavy_atoms: | 29 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD56627
Formula: C14H17O4N
Smiles:
CC(O)CCC=CC(=O)Nc1ccc(C(=O)O)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 263.29 | Num_heavy_atoms: | 19 |
| TPSA: | 86.63 | NumAromaticRings: | 1 |
