Glycoside
GD021331
Name:
NoneFormula:
C20H33O8N3Smiles:
CN[C@H](C(=O)NCCCCCCOC1OC(C)C(O)C(O)C1O)c1ccc(C(=O)O)[nH]1Aglycone:
CNC(C(=O)NCCCCCCO)c1ccc(C(=O)O)[nH]1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 12 |
| MolWt: | 443.5 | Num_heavy_atoms: | 31 |
| TPSA: | 173.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD14605
Formula: C14H23O4N3
Smiles:
CNC(C(=O)NCCCCCCO)c1ccc(C(=O)O)[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 297.35 | Num_heavy_atoms: | 21 |
| TPSA: | 114.45 | NumAromaticRings: | 1 |
