Glycoside
GD029228
Name:
NoneFormula:
C24H40O8N2Smiles:
CO[C@H](C(=O)NC1CC[C@H](OC(=O)C2CCCC2)CNC1=O)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)CAglycone:
C=CC(C)(C)C.NC1CCC(OC(=O)C2CCCC2)CNC1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.59 | Num_heavy_atoms: | 34 |
| TPSA: | 154.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00410
Formula: C6H12
Smiles:
C=CC(C)(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.16 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD19036
Formula: C12H20O3N2
Smiles:
NC1CCC(OC(=O)C2CCCC2)CNC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 81.42 | NumAromaticRings: | 0 |
