Glycoside
GD017524
Name:
NoneFormula:
C22H36O13N2Smiles:
CCOC(=O)[C@H](NC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)CCCC(=O)O)[C@H](C)O[C@@H]1O[C@H](C)[C@H](O)C(O)C1OAglycone:
CCOC(=O)C(NC(=O)C1C(O)C(O)CN1C(=O)CCCC(=O)O)C(C)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 536.53 | Num_heavy_atoms: | 37 |
| TPSA: | 232.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD12495
Formula: C16H26O9N2
Smiles:
CCOC(=O)C(NC(=O)C1C(O)C(O)CN1C(=O)CCCC(=O)O)C(C)O| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 390.39 | Num_heavy_atoms: | 27 |
| TPSA: | 173.7 | NumAromaticRings: | 0 |
