Glycoside
GD016588
Name:
3-O-Beta-D-Glucopyranosyl-(1->4)-6-Deoxy-Beta-D-Allopyranosyl-17Beta-HydroxyuzarigeninFormula:
C35H54O14Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@@]3(C)[C@](O)(C5=CC(=O)OC5)CC[C@@]43O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(O)(C3=CC(=O)OC3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 698.8 | Num_heavy_atoms: | 49 |
| TPSA: | 225.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD11926
Formula: C23H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(O)(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
