Glycoside
GD095187
Name:
NoneFormula:
C20H31O9N3Smiles:
CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@]21CCNC1=OAglycone:
CC(C)(C)OC(=O)N1CC2(CNCC23CCNC3=O)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.48 | Num_heavy_atoms: | 32 |
| TPSA: | 176.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD40637
Formula: C14H23O3N3
Smiles:
CC(C)(C)OC(=O)N1CC2(CNCC23CCNC3=O)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 281.36 | Num_heavy_atoms: | 20 |
| TPSA: | 70.67 | NumAromaticRings: | 0 |
