Glycoside
GD144195
Name:
cyanidin 3-robinobioside-5-(6-p-coumarylglucoside)Formula:
C42H49O22Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)cc4OC4OC(COC(=O)C=Cc5ccc([OH2+])cc5)C(O)C(O)C4O)OC3c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.45 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 905.83 | Num_heavy_atoms: | 64 |
| TPSA: | 356.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.19 | Num_heavy_atoms: | 13 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
