Glycoside
GD017620
Name:
NoneFormula:
C18H14O12Smiles:
O=C(OC(C(=O)O)C(OC(=O)c1cc(O)ccc1O)C(=O)O)c1cc(O)ccc1OAglycone:
O=Cc1cc(O)ccc1O.O=Cc1cc(O)ccc1OSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.11 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.3 | Num_heavy_atoms: | 30 |
| TPSA: | 208.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD12558
Formula: C7H6O3
Smiles:
O=Cc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
