Glycoside
GD000440
Name:
NoneFormula:
C27H45O13Smiles:
C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CC3CCCCC3)C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C([O-])C(O)CC1CCCCC1.OC1CCCCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 577.64 | Num_heavy_atoms: | 40 |
| TPSA: | 207.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00488
Formula: C9H15O3
Smiles:
O=C([O-])C(O)CC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 171.22 | Num_heavy_atoms: | 12 |
| TPSA: | 60.36 | NumAromaticRings: | 0 |
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
