Glycoside
GD028062
Name:
NoneFormula:
C29H44O7N4Smiles:
C=CCCCCn1cc(CN(CC=C)C(=O)CO[C@@H]2O[C@H](COCC=C)[C@H](OCC=C)[C@H](O)[C@H]2OCC=C)nn1Aglycone:
C=CCCCCn1cc(CN(CC=C)C(=O)CO)nn1.C=CCOCSugarmoiety:
C=CCOC1C(O)OC(O)C(OCC=C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 22 |
| MolWt: | 560.69 | Num_heavy_atoms: | 40 |
| TPSA: | 117.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD18371
Formula: C14H22O2N4
Smiles:
C=CCCCCn1cc(CN(CC=C)C(=O)CO)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 278.36 | Num_heavy_atoms: | 20 |
| TPSA: | 71.25 | NumAromaticRings: | 1 |
AD18372
Formula: C4H8O
Smiles:
C=CCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 72.11 | Num_heavy_atoms: | 5 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
