Glycoside
GD088800
Name:
NoneFormula:
C21H38O7N3Smiles:
CC(=O)N1CCC([NH+]2CCC(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)CC1Aglycone:
CC(=O)N1CCC([NH+]2CCC(C(=O)NCCO)CC2)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.55 | Num_heavy_atoms: | 31 |
| TPSA: | 133.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD38851
Formula: C15H28O3N3
Smiles:
CC(=O)N1CCC([NH+]2CCC(C(=O)NCCO)CC2)CC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.41 | Num_heavy_atoms: | 21 |
| TPSA: | 74.08 | NumAromaticRings: | 0 |
