Glycoside
GD018804
Name:
NoneFormula:
C30H37O14NSmiles:
O=C(NCCOCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)c1ccc2c(c1)C(=O)c1ccccc1-2Aglycone:
O=C(NCCOCCO)c1ccc2c(c1)C(=O)c1ccccc1-2Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 12 |
| MolWt: | 635.62 | Num_heavy_atoms: | 45 |
| TPSA: | 233.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD13196
Formula: C18H17O4N
Smiles:
O=C(NCCOCCO)c1ccc2c(c1)C(=O)c1ccccc1-2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 311.34 | Num_heavy_atoms: | 23 |
| TPSA: | 75.63 | NumAromaticRings: | 2 |
