Glycoside
GD139554
Name:
malvidin 3-arabinosideFormula:
C22H25O11Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2OC2OCC(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.43 | Num_heavy_atoms: | 33 |
| TPSA: | 170.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD46609
Formula: C17H17O7
Smiles:
COc1cc(C2Oc3cc([OH2+])cc(O)c3C=C2O)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.18 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.32 | Num_heavy_atoms: | 24 |
| TPSA: | 111.28 | NumAromaticRings: | 2 |
