Glycoside
GD091407
Name:
NoneFormula:
C20H31O8N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(CNC(=O)OC(C)(C)C)nc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCO)cn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.48 | Num_heavy_atoms: | 31 |
| TPSA: | 159.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD39882
Formula: C14H21O4N3
Smiles:
CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCO)cn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.34 | Num_heavy_atoms: | 21 |
| TPSA: | 100.55 | NumAromaticRings: | 1 |
