Glycoside
GD011444
Name:
NoneFormula:
C34H42O17Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3ccc(C=O)cc3)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](COC(=O)C=Cc3ccccc3)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
COC(=O)C=Cc1ccccc1.O=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 12 |
| MolWt: | 722.69 | Num_heavy_atoms: | 51 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01669
Formula: C7H6O2
Smiles:
O=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
