Glycoside
GD023072
Name:
NoneFormula:
C30H51O22NSmiles:
CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3C[C@](O)(CO)C[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COAglycone:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.OCC1(O)CC(O)C(O)C(O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.93 |
| AlogP: | -8.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 777.72 | Num_heavy_atoms: | 53 |
| TPSA: | 384.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD00077
Formula: C11H19O9N
Smiles:
CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 176.78 | NumAromaticRings: | 0 |
AD03790
Formula: C7H14O5
Smiles:
OCC1(O)CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
