Glycoside
GD003614
Name:
NoneFormula:
C34H42O18Smiles:
COC(=O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(=O)O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C(=O)OCAglycone:
O=C(O)C(O)Cc1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC(=O)C(OC1OC(C)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)C(=O)OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 15 |
| MolWt: | 738.69 | Num_heavy_atoms: | 52 |
| TPSA: | 263.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD00001
Formula: C9H10O3
Smiles:
O=C(O)C(O)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
