Glycoside
GD084101
Name:
NoneFormula:
C19H30O8N2Smiles:
CCOC(=O)c1c(CCC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c[nH]c1CAglycone:
CCOC(=O)c1c(CCC(=O)NCCO)c[nH]c1CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 414.46 | Num_heavy_atoms: | 29 |
| TPSA: | 150.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD37531
Formula: C13H20O4N2
Smiles:
CCOC(=O)c1c(CCC(=O)NCCO)c[nH]c1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 268.31 | Num_heavy_atoms: | 19 |
| TPSA: | 91.42 | NumAromaticRings: | 1 |
