Glycoside
GD057240
Name:
NoneFormula:
C14H23O7N3Smiles:
CC1(c2cn(CCO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)COC1Aglycone:
CC1(c2cn(CCO)nn2)COC1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 345.35 | Num_heavy_atoms: | 24 |
| TPSA: | 139.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD28744
Formula: C8H13O2N3
Smiles:
CC1(c2cn(CCO)nn2)COC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 60.17 | NumAromaticRings: | 1 |
