Glycoside
GD032756
Name:
NoneFormula:
C19H32O6N2Smiles:
CO[C@H](C(=O)N[C@@H]1CCCCNC1=O)[C@H](O)[C@H](O)[C@H](O)C=CC1CCCC1Aglycone:
C=CC1CCCC1.NC1CCCCNC1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 128.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD03493
Formula: C6H12ON2
Smiles:
NC1CCCCNC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
AD20969
Formula: C7H12
Smiles:
C=CC1CCCC1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 96.17 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
