Glycoside
GD095516
Name:
NoneFormula:
C21H36O7N5Smiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.55 | Num_heavy_atoms: | 33 |
| TPSA: | 157.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD40755
Formula: C15H26O3N5
Smiles:
CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCO| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 324.41 | Num_heavy_atoms: | 23 |
| TPSA: | 98.66 | NumAromaticRings: | 2 |
