Glycoside
GD001891
Name:
NoneFormula:
C34H42O13Smiles:
CC(=O)O[C@@]12CO[C@H]1C[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@]1(C)C(=O)C(=O)C3=C(C)CC[C@@]3(C(C)(C)OC(=O)c3ccccc3)[C@H](O)[C@@H]21Aglycone:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(=O)C3=C(C)CCC3(C(C)(C)OC(=O)c3ccccc3)C(O)C21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 658.7 | Num_heavy_atoms: | 47 |
| TPSA: | 195.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD01845
Formula: C29H34O9
Smiles:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(=O)C3=C(C)CCC3(C(C)(C)OC(=O)c3ccccc3)C(O)C21| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.58 | Num_heavy_atoms: | 38 |
| TPSA: | 136.43 | NumAromaticRings: | 1 |
