Glycoside
GD034697
Name:
DYSINOSIN BFormula:
C31H52O15N6SSmiles:
CO[C@H](COS(=O)(=O)[O-])C(=O)N[C@H](C(=O)N1[C@H](C(=O)NCCC2=CC[N+](=C(N)N)C2)C[C@@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H]21)C(C)CAglycone:
COC(COS(=O)(=O)[O-])C(=O)NC(C(=O)N1C(C(=O)NCCC2=CC[N+](=C(N)N)C2)CC2CC(O)C(O)CC21)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.81 |
| AlogP: | -5.72 | Num_rotatable_bonds: | 15 |
| MolWt: | 780.85 | Num_heavy_atoms: | 53 |
| TPSA: | 328.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD22025
Formula: C25H42O10N6S
Smiles:
COC(COS(=O)(=O)[O-])C(=O)NC(C(=O)N1C(C(=O)NCCC2=CC[N+](=C(N)N)C2)CC2CC(O)C(O)CC21)C(C)C| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 12 |
| MolWt: | 618.71 | Num_heavy_atoms: | 42 |
| TPSA: | 249.68 | NumAromaticRings: | 0 |
