Glycoside
GD132955
Name:
Streptovirudin B2Formula:
C36H58O16N4Smiles:
CCC(C)CCCCCCC=CC(O)=NC1C(OC2OC(CO)C(O)C(O)C2N=C(C)O)OC(CC(O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(O)C1OAglycone:
CCC(C)CCCCCCC=CC(=N)O.O=c1nc(O)cc[nH]1Sugarmoiety:
CC(O)=NC1C(OC2OC(CC(O)C3OC(O)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.78 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 18 |
| MolWt: | 802.87 | Num_heavy_atoms: | 56 |
| TPSA: | 319.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD53825
Formula: C13H25ON
Smiles:
CCC(C)CCCCCCC=CC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 4.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 211.35 | Num_heavy_atoms: | 15 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
