Glycoside
GD144210
Name:
Patuloside BFormula:
C25H28O15Smiles:
CC1OC(OC2C(Oc3cc(O)c4c(=O)c5ccc(O)c(O)c5oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c2ccc(O)c(O)c2oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 568.48 | Num_heavy_atoms: | 40 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD50874
Formula: C13H8O6
Smiles:
O=c1c2ccc(O)c(O)c2oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.2 | Num_heavy_atoms: | 19 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
