Glycoside
GD035584
Name:
NoneFormula:
C21H40O7N5ISmiles:
CCN[C@@H]1C[C@H](N)[C@H](O[C@@H]2OC(CN)=C(I)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(I)CC2N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.9 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 601.48 | Num_heavy_atoms: | 34 |
| TPSA: | 199.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD22507
Formula: C14H27O4N4I
Smiles:
CCNC1CC(N)C(OC2OC(CN)=C(I)CC2N)C(O)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.3 | Num_heavy_atoms: | 23 |
| TPSA: | 149.01 | NumAromaticRings: | 0 |
