Glycoside
GD000056
Name:
PELARGONIDIN-3-GALACTOSIDEFormula:
C21H21O10Smiles:
OC[C@@H]1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.39 | Num_heavy_atoms: | 31 |
| TPSA: | 171.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00075
Formula: C15H11O5
Smiles:
Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 271.25 | Num_heavy_atoms: | 20 |
| TPSA: | 92.22 | NumAromaticRings: | 3 |
