Glycoside
GD093418
Name:
NoneFormula:
C21H45O7N5Smiles:
CC[NH2+][C@@H]1C[C@H](N)[C@H](O[C@@H]2OC(C[NH3+])=CC[C@@H]2[NH3+])[C@H](O)[C@@H]1O[C@@H]1OC[C@](C)(O)[C@H]([NH2+]C)[C@H]1OAglycone:
CC[NH2+]C1CC(N)C(OC2OC(C[NH3+])=CCC2[NH3+])C(O)C1OSugarmoiety:
C[NH2+]C1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.9 |
| AlogP: | -6.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 479.62 | Num_heavy_atoms: | 33 |
| TPSA: | 212.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD40405
Formula: C14H31O4N4
Smiles:
CC[NH2+]C1CC(N)C(OC2OC(C[NH3+])=CCC2[NH3+])C(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.86 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 319.43 | Num_heavy_atoms: | 22 |
| TPSA: | 156.83 | NumAromaticRings: | 0 |
