Glycoside
GD099016
Name:
NoneFormula:
C22H35O8N2Smiles:
COc1ccc(CN2CC[C@H]([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2=O)c(OC)c1Aglycone:
COc1ccc(CN2CCC([NH2+]CCO)CC2=O)c(OC)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 455.53 | Num_heavy_atoms: | 32 |
| TPSA: | 134.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD42148
Formula: C16H25O4N2
Smiles:
COc1ccc(CN2CCC([NH2+]CCO)CC2=O)c(OC)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 309.39 | Num_heavy_atoms: | 22 |
| TPSA: | 75.61 | NumAromaticRings: | 1 |
