Glycoside
GD022496
Name:
NoneFormula:
C26H44O8N2Smiles:
CO[C@H](C(=O)N[C@@H]1CC[C@H](OC(=O)C2CCCCC2)CNC1=O)[C@H](O)[C@H](O)[C@H](O)C(C)=CC(C)(C)CAglycone:
CC=CC(C)(C)C.NC1CCC(OC(=O)C2CCCCC2)CNC1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.64 | Num_heavy_atoms: | 36 |
| TPSA: | 154.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD05976
Formula: C13H22O3N2
Smiles:
NC1CCC(OC(=O)C2CCCCC2)CNC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.33 | Num_heavy_atoms: | 18 |
| TPSA: | 81.42 | NumAromaticRings: | 0 |
AD15241
Formula: C7H14
Smiles:
CC=CC(C)(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.19 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
