Glycoside
GD136815
Name:
cyanidin 3-(6''-dioxalylglucoside)Formula:
C25H23O17Smiles:
O=C(O)C(=O)OC(=O)C(=O)OCC1OC(OC2=Cc3c(O)cc([OH2+])cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C(=O)OC(=O)C(=O)O.OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.28 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 595.44 | Num_heavy_atoms: | 42 |
| TPSA: | 278.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD45250
Formula: C15H13O6
Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.05 | NumAromaticRings: | 2 |
AD55300
Formula: C5H4O7
Smiles:
COC(=O)C(=O)OC(=O)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.08 | Num_heavy_atoms: | 12 |
| TPSA: | 106.97 | NumAromaticRings: | 0 |
