Glycoside
GD117555
Name:
Rocheicoside AFormula:
C30H42O9N6Smiles:
CC1OC(n2ccc(=NC(=O)c3ccc(N4CNC(C)(CO)C4=O)cc3)nc2O)CCC1OC1OC(C)C(N(C)C)C(O)C1OAglycone:
CC1OC(n2ccc(=NC(=O)c3ccc(N4CNC(C)(CO)C4=O)cc3)nc2O)CCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1N(C)COther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 630.7 | Num_heavy_atoms: | 45 |
| TPSA: | 191.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD46881
Formula: C22H27O6N5
Smiles:
CC1OC(n2ccc(=NC(=O)c3ccc(N4CNC(C)(CO)C4=O)cc3)nc2O)CCC1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 457.49 | Num_heavy_atoms: | 33 |
| TPSA: | 149.51 | NumAromaticRings: | 2 |
