Glycoside
GD029451
Name:
NoneFormula:
C24H40O8N2Smiles:
CC(C)=CCC[C@@](C)(O)[C@H](O)CCC(C)=CCOC[C@@H]1O[C@H](N2CCC(=O)NC2=O)[C@H](O)[C@H]1OAglycone:
COCC=C(C)CCC(O)C(C)(O)CCC=C(C)C.O=C1CCNC(=O)N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 484.59 | Num_heavy_atoms: | 34 |
| TPSA: | 148.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD01822
Formula: C4H6O2N2
Smiles:
O=C1CCNC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
AD19155
Formula: C16H30O3
Smiles:
COCC=C(C)CCC(O)C(C)(O)CCC=C(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 270.41 | Num_heavy_atoms: | 19 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
