Glycoside
GD116691
Name:
petunidin 3-arabinosideFormula:
C21H23O11Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OCC(O)C(O)C2O)cc(O)c1OAglycone:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(O)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 451.4 | Num_heavy_atoms: | 32 |
| 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 |
