Glycoside
GD098785
Name:
NoneFormula:
C22H35O8N5Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)NCCO)cn2)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.55 | Num_heavy_atoms: | 35 |
| TPSA: | 166.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD42024
Formula: C16H25O4N5
Smiles:
CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)NCCO)cn2)CC1| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 351.41 | Num_heavy_atoms: | 25 |
| TPSA: | 107.89 | NumAromaticRings: | 1 |
