Glycoside
GD019498
Name:
NoneFormula:
C41H32O21Smiles:
O=C(OC[C@@H]1O[C@H](OC(=O)c2cc(O)cc(O)c2)[C@H](OC(=O)c2cc(O)cc(O)c2)[C@H](OC(=O)c2cc(O)cc(O)c2)[C@H]1OC(=O)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1Aglycone:
COC(=O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.15 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 860.69 | Num_heavy_atoms: | 62 |
| TPSA: | 343.03 | NumAromaticRings: | 5 |
Unique Aglycone
AD09739
Formula: C7H6O4
Smiles:
O=C(O)c1cc(O)cc(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD13607
Formula: C8H8O4
Smiles:
COC(=O)c1cc(O)cc(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
