Glycoside
GD108315
Name:
NoneFormula:
C30H35O10N2Smiles:
COc1ccccc1OCC[NH2+]C[C@@H](COc1cccc2[nH]c3ccccc3c12)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
COc1ccccc1OCC[NH2+]CC(O)COc1cccc2[nH]c3ccccc3c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 13 |
| MolWt: | 583.61 | Num_heavy_atoms: | 42 |
| TPSA: | 176.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD44429
Formula: C24H27O4N2
Smiles:
COc1ccccc1OCC[NH2+]CC(O)COc1cccc2[nH]c3ccccc3c12| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 407.49 | Num_heavy_atoms: | 30 |
| TPSA: | 80.32 | NumAromaticRings: | 4 |
