Glycoside
GD116035
Name:
NoneFormula:
C33H38O22Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc(O)cc3c2CC(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.COC(=O)CC(=O)O.Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 13 |
| MolWt: | 786.65 | Num_heavy_atoms: | 55 |
| TPSA: | 355.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD04299
Formula: C15H14O6
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
