Glycoside
GD132954
Name:
petunidin 3-rhamnosideFormula:
C22H25O11Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OC(C)C(O)C(O)C2O)cc(O)c1OAglycone:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(O)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 465.43 | Num_heavy_atoms: | 33 |
| TPSA: | 181.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD46387
Formula: C16H15O7
Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.29 | Num_heavy_atoms: | 23 |
| TPSA: | 122.28 | NumAromaticRings: | 2 |
