Glycoside
GD038897
Name:
acetylsisomicinFormula:
C21H39O8N5Smiles:
CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](N)C[C@@H](NC(C)=O)[C@H](O[C@H]3OC(CN)=CC[C@@H]3N)[C@@H]2O)OC[C@@]1(C)OAglycone:
CC(=O)NC1CC(N)C(O)C(O)C1OC1OC(CN)=CCC1NSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.86 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 489.57 | Num_heavy_atoms: | 34 |
| TPSA: | 216.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD24174
Formula: C14H26O5N4
Smiles:
CC(=O)NC1CC(N)C(O)C(O)C1OC1OC(CN)=CCC1N| HBA: | 9 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.39 | Num_heavy_atoms: | 23 |
| TPSA: | 166.08 | NumAromaticRings: | 0 |
