Glycoside
GD095769
Name:
NoneFormula:
C24H30O9NSmiles:
COc1ccc2c3c1O[C@H]1[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C[C@H]4[C@@H](C2)[N@H+](C)CC[C@]314Aglycone:
COc1ccc2c3c1OC1C(O)C=CC4C(C2)[NH+](C)CCC341Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.5 | Num_heavy_atoms: | 34 |
| TPSA: | 139.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD40817
Formula: C18H22O3N
Smiles:
COc1ccc2c3c1OC1C(O)C=CC4C(C2)[NH+](C)CCC341| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.38 | Num_heavy_atoms: | 22 |
| TPSA: | 43.13 | NumAromaticRings: | 1 |
