Glycoside
GD088986
Name:
NoneFormula:
C20H31O8N2Smiles:
COc1ccc(CN2CC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O)c(OC)c1Aglycone:
COc1ccc(CN2CCC([NH3+])CC2=O)c(OC)c1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 11 |
| MolWt: | 427.47 | Num_heavy_atoms: | 30 |
| TPSA: | 153.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD38896
Formula: C14H21O3N2
Smiles:
COc1ccc(CN2CCC([NH3+])CC2=O)c(OC)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 265.33 | Num_heavy_atoms: | 19 |
| TPSA: | 66.41 | NumAromaticRings: | 1 |
