Glycoside
GD157224
Name:
Streptovirudin C1Formula:
C37H62O16N4Smiles:
CC(O)=NC1C(OC2OC(CC(O)C3OC(N4CCC(O)=NC4=O)C(O)C3O)C(O)C(O)C2N=C(O)C=CCCCCCCCCC(C)C)OC(CO)C(O)C1OAglycone:
CC(C)CCCCCCCCC=CC(=N)O.O=C1N=C(O)CCN1Sugarmoiety:
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: | 0.84 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 19 |
| MolWt: | 818.91 | Num_heavy_atoms: | 57 |
| TPSA: | 316.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD45212
Formula: C4H6O2N2
Smiles:
O=C1N=C(O)CCN1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 114.1 | Num_heavy_atoms: | 8 |
| TPSA: | 61.69 | NumAromaticRings: | 0 |
AD61646
Formula: C14H27ON
Smiles:
CC(C)CCCCCCCCC=CC(=N)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 225.38 | Num_heavy_atoms: | 16 |
| TPSA: | 44.08 | NumAromaticRings: | 0 |
