Glycoside
GD049336
Name:
NoneFormula:
C13H21O6N3Smiles:
OC[C@H]1O[C@@](CO)(OCCn2cc(C3CC3)nn2)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(C2CC2)nn1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 315.33 | Num_heavy_atoms: | 22 |
| TPSA: | 130.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD26158
Formula: C7H11ON3
Smiles:
OCCn1cc(C2CC2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 153.18 | Num_heavy_atoms: | 11 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
