Glycoside
GD009386
Name:
NoneFormula:
C52H100O8N4Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](Cn2ccnn2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.Cn1ccnn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 10.78 | Num_rotatable_bonds: | 45 |
| MolWt: | 909.39 | Num_heavy_atoms: | 64 |
| TPSA: | 179.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 696.2 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD07362
Formula: C3H5N3
Smiles:
Cn1ccnn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 83.09 | Num_heavy_atoms: | 6 |
| TPSA: | 30.71 | NumAromaticRings: | 1 |
