Glycoside
GD039508
Name:
neugc gm3Formula:
C23H39O20NSmiles:
O=C(CO)N[C@H]1[C@@H]([C@@H](O)[C@@H](O)CO)O[C@@](O[C@H]2[C@H](O)[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]3O)O[C@H](CO)[C@@H]2O)(C(=O)O)C[C@H]1OAglycone:
O=C(CO)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.91 |
| AlogP: | -9.25 | Num_rotatable_bonds: | 12 |
| MolWt: | 649.55 | Num_heavy_atoms: | 44 |
| TPSA: | 355.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD19645
Formula: C11H19O10N
Smiles:
O=C(CO)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -4.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 325.27 | Num_heavy_atoms: | 22 |
| TPSA: | 197.01 | NumAromaticRings: | 0 |
