Glycoside
GD035542
Name:
NoneFormula:
C22H40O7N5ClSmiles:
CCN[C@@H]1C[C@H](N)[C@H](O[C@@H]2OC(CN)=C(Cl)C[C@H]2N)[C@H](O)[C@H]1O[C@@H]1OC[C@@](C)(O)[C@H](NC)[C@H]1OAglycone:
CCNC1CC(N)C(OC2OC(CN)=C(Cl)CC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.03 | Num_heavy_atoms: | 34 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD22482
Formula: C15H27O4N4Cl
Smiles:
CCNC1CC(N)C(OC2OC(CN)=C(Cl)CC2N)C(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 350.85 | Num_heavy_atoms: | 23 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
