Glycoside
GD004753
Name:
NoneFormula:
C21H36O16Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O)C[C@](O)(CO)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
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: | 16 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -5.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 544.5 | Num_heavy_atoms: | 37 |
| TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | 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 |
