Glycoside
GD145885
Name:
5-methylcyanidin 3-glucosideFormula:
C22H25O11Smiles:
COc1cc(O)cc2c1C=C(OC1OC(C[OH2+])C(O)C(O)C1O)C(c1ccc(O)c(O)c1)O2Aglycone:
COc1cc(O)cc2c1C=C(O)C(c1ccc(O)c(O)c1)O2Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.43 | Num_heavy_atoms: | 33 |
| TPSA: | 181.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD58532
Formula: C16H14O6
Smiles:
COc1cc(O)cc2c1C=C(O)C(c1ccc(O)c(O)c1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
