Glycoside
GD027387
Name:
NoneFormula:
C17H29O13N2Smiles:
CC(=O)N[C@@H]1[C@H](N)C[C@](OC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)COAglycone:
COC1(C(=O)[O-])CC(N)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | -7.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 469.42 | Num_heavy_atoms: | 32 |
| TPSA: | 264.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD18001
Formula: C12H21O8N2
Smiles:
COC1(C(=O)[O-])CC(N)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -4.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 321.31 | Num_heavy_atoms: | 22 |
| TPSA: | 174.4 | NumAromaticRings: | 0 |
