Glycoside
GD004531
Name:
NoneFormula:
C31H61O12N5Smiles:
COC[C@@H]1O[C@H](O[C@H]2[C@H](NC(=O)[C@H](CCN)OC)C[C@@H](N)[C@@H](C[C@@H]3O[C@H](CN)[C@H](OC)[C@H](OC)[C@H]3OC)[C@H]2OC)[C@H](OC)[C@H](N)[C@H]1OCAglycone:
COC(CCN)C(=O)NC1CC(N)C(C)C(OC)C1OSugarmoiety:
COC1C(O)OC(CN)C(OC)C1OC.COCC1OC(O)C(OC)C(N)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 18 |
| MolWt: | 695.85 | Num_heavy_atoms: | 48 |
| TPSA: | 234.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD03944
Formula: C13H27O4N3
Smiles:
COC(CCN)C(=O)NC1CC(N)C(C)C(OC)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 289.38 | Num_heavy_atoms: | 20 |
| TPSA: | 119.83 | NumAromaticRings: | 0 |
