Glycoside
GD149740
Name:
cyanidin 3-(6''-malylglucoside)Formula:
C25H27O15Smiles:
O=C(CC(O)C(=O)O)OCC1OC(OC2=Cc3c(O)cc([OH2+])cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)CC(O)C(=O)O.OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 567.48 | Num_heavy_atoms: | 40 |
| TPSA: | 255.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD45034
Formula: C5H8O5
Smiles:
COC(=O)CC(O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.11 | Num_heavy_atoms: | 10 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
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 |
