Glycoside
GD067508
Name:
NoneFormula:
C15H22O8N2Smiles:
C=CCN1CC2(CN(C(=O)[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)C2)OCC1=OAglycone:
C=CCN1CC2(CN(C=O)C2)OCC1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.35 | Num_heavy_atoms: | 25 |
| TPSA: | 140.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD32170
Formula: C10H14O3N2
Smiles:
C=CCN1CC2(CN(C=O)C2)OCC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 49.85 | NumAromaticRings: | 0 |
