Glycoside
GD091385
Name:
NoneFormula:
C18H28O8N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)Nc1cnc(C(=O)NCCO)cn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.44 | Num_heavy_atoms: | 30 |
| TPSA: | 172.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD39867
Formula: C12H18O4N4
Smiles:
CC(C)(C)OC(=O)Nc1cnc(C(=O)NCCO)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.3 | Num_heavy_atoms: | 20 |
| TPSA: | 113.44 | NumAromaticRings: | 1 |
