Glycoside
GD085197
Name:
NoneFormula:
C18H31O8N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)CN(CCC#N)C(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)N(CCC#N)CC(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 417.46 | Num_heavy_atoms: | 29 |
| TPSA: | 161.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD38111
Formula: C12H21O4N3
Smiles:
CC(C)(C)OC(=O)N(CCC#N)CC(=O)NCCO| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 271.32 | Num_heavy_atoms: | 19 |
| TPSA: | 102.66 | NumAromaticRings: | 0 |
