Glycoside
GD150963
Name:
malvidin 3-sophoroside-5-glucosideFormula:
C35H47O22Smiles:
COc1cc(C2Oc3cc(O)cc(OC4OC(C[OH2+])C(O)C(O)C4O)c3C=C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1OSugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.6 |
| AlogP: | -4.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 819.74 | Num_heavy_atoms: | 57 |
| TPSA: | 348.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD45815
Formula: C17H16O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C=C2O)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.18 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
